Finding GlcSFMs for Glucides in the PDB entry '3ACI' ... |
PDB Entry | Title | Determination Method | Resolution | R-Factor |
3ACI | Crystal Structure of Carbohydrate-Binding Module Family 28 from Clostridium josui Cel5A in complex w | X-RAY | 1.60 | 0.144
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| 3ACI has 4 GlcSFMs: |
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| Motif No. / Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: HLL
+9w
> Sequence: GFR
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BGC /(401) |
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> Graphics rep1:
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | 123-127 H: 5 | 127 | GLY | O | O4 | A | 401 | 3.95 | H.Bond | A | No SSE | 128 | PHE | CB | C3 | A | 401 | 3.71 | van der Waals | A | No SSE | 128 | PHE | CB | C4 | A | 401 | 3.92 | van der Waals | A | No SSE | 128 | PHE | CB | O4 | A | 401 | 3.19 | van der Waals | A | No SSE | 128 | PHE | CG | C3 | A | 401 | 3.82 | van der Waals | A | No SSE | 128 | PHE | CG | O4 | A | 401 | 3.99 | van der Waals | A | No SSE | 128 | PHE | CD2 | C5 | A | 401 | 3.85 | van der Waals | A | No SSE | 178 | ARG | CZ | O2 | A | 401 | 3.43 | van der Waals | A | No SSE | 178 | ARG | NH1 | C2 | A | 401 | 3.98 | H.Bond | A | No SSE | 178 | ARG | NH1 | O2 | A | 401 | 2.72 | H.Bond | A | No SSE | 178 | ARG | NH2 | C3 | A | 401 | 3.83 | H.Bond | A | No SSE | 178 | ARG | NH2 | O2 | A | 401 | 3.3 | H.Bond | A | No SSE | 178 | ARG | NH2 | O3 | A | 401 | 3.14 | H.Bond | A | Water | 305 | HOH | O | C2 | A | 401 | 3.65 | van der Waals | A | Water | 305 | HOH | O | C1 | A | 401 | 3.55 | van der Waals | A | Water | 305 | HOH | O | O1 | A | 401 | 2.62 | H.Bond | A | Water | 305 | HOH | O | O5 | A | 401 | 3.72 | H.Bond | A | Water | 318 | HOH | O | O5 | A | 401 | 3.5 | H.Bond | A | Water | 318 | HOH | O | O6 | A | 401 | 2.95 | H.Bond | A | Water | 348 | HOH | O | C5 | A | 401 | 3.91 | van der Waals | A | Water | 348 | HOH | O | C6 | A | 401 | 3.92 | van der Waals | A | Water | 348 | HOH | O | O5 | A | 401 | 3.75 | H.Bond | A | Water | 350 | HOH | O | O6 | A | 401 | 2.95 | H.Bond | A | Water | 388 | HOH | O | C3 | A | 401 | 3.86 | van der Waals | A | Water | 388 | HOH | O | O3 | A | 401 | 2.86 | H.Bond | A | Water | 388 | HOH | O | O4 | A | 401 | 3.6 | H.Bond | A | Water | 485 | HOH | O | O6 | A | 401 | 3.96 | H.Bond | A | Water | 536 | HOH | O | C5 | A | 401 | 3.97 | van der Waals | A | Water | 536 | HOH | O | C6 | A | 401 | 3.48 | van der Waals | A | Water | 555 | HOH | O | C2 | A | 401 | 3.7 | van der Waals | A | Water | 555 | HOH | O | C3 | A | 401 | 3.58 | van der Waals | A | Water | 555 | HOH | O | O3 | A | 401 | 2.74 | H.Bond | A | Water | 567 | HOH | O | C2 | A | 401 | 3.37 | van der Waals | A | Water | 567 | HOH | O | C1 | A | 401 | 3.92 | van der Waals | A | Water | 567 | HOH | O | O1 | A | 401 | 3.27 | H.Bond | A | Water | 567 | HOH | O | O2 | A | 401 | 2.61 | H.Bond | |
| 2 / A |
> Structure: SHLL
+14w
> Sequence: RGFW
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BGC /(402) |
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> Graphics rep1:
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> Graphics rep2:
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | 83-86 S: -1 | 83 | ARG | NH2 | O6 | A | 402 | 3.58 | H.Bond | A | 123-127 H: 5 | 127 | GLY | O | C2 | A | 402 | 3.64 | van der Waals | A | 123-127 H: 5 | 127 | GLY | O | O2 | A | 402 | 2.78 | H.Bond | A | No SSE | 128 | PHE | O | C2 | A | 402 | 3.8 | van der Waals | A | No SSE | 129 | TRP | CB | O3 | A | 402 | 3.41 | van der Waals | A | No SSE | 129 | TRP | CG | O3 | A | 402 | 3.75 | van der Waals | A | No SSE | 129 | TRP | CE3 | O6 | A | 402 | 3.95 | van der Waals | A | No SSE | 129 | TRP | CZ3 | O6 | A | 402 | 3.69 | van der Waals | A | Water | 225 | HOH | O | C5 | A | 402 | 3.94 | van der Waals | A | Water | 225 | HOH | O | O4 | A | 402 | 3.16 | H.Bond | A | Water | 238 | HOH | O | C6 | A | 402 | 3.69 | van der Waals | A | Water | 246 | HOH | O | O4 | A | 402 | 3.53 | H.Bond | A | Water | 350 | HOH | O | C1 | A | 402 | 3.82 | van der Waals | A | Water | 382 | HOH | O | O6 | A | 402 | 3.69 | H.Bond | A | Water | 388 | HOH | O | C5 | A | 402 | 3.87 | van der Waals | A | Water | 388 | HOH | O | C6 | A | 402 | 3.75 | van der Waals | A | Water | 388 | HOH | O | C1 | A | 402 | 3.76 | van der Waals | A | Water | 388 | HOH | O | O5 | A | 402 | 2.98 | H.Bond | A | Water | 388 | HOH | O | O6 | A | 402 | 2.81 | H.Bond | A | Water | 422 | HOH | O | O2 | A | 402 | 3.38 | H.Bond | A | Water | 426 | HOH | O | C6 | A | 402 | 3.62 | van der Waals | A | Water | 426 | HOH | O | O6 | A | 402 | 2.72 | H.Bond | A | Water | 437 | HOH | O | O3 | A | 402 | 3.46 | H.Bond | A | Water | 453 | HOH | O | C3 | A | 402 | 3.71 | van der Waals | A | Water | 453 | HOH | O | O2 | A | 402 | 3.38 | H.Bond | A | Water | 453 | HOH | O | O3 | A | 402 | 2.62 | H.Bond | A | Water | 485 | HOH | O | C2 | A | 402 | 3.65 | van der Waals | A | Water | 485 | HOH | O | C3 | A | 402 | 3.69 | van der Waals | A | Water | 485 | HOH | O | O2 | A | 402 | 2.81 | H.Bond | A | Water | 504 | HOH | O | C6 | A | 402 | 3.63 | van der Waals | A | Water | 532 | HOH | O | C6 | A | 402 | 3.76 | van der Waals | A | Water | 532 | HOH | O | O4 | A | 402 | 3.59 | H.Bond | A | Water | 555 | HOH | O | C6 | A | 402 | 3.96 | van der Waals | A | Water | 555 | HOH | O | O5 | A | 402 | 3.83 | H.Bond | |
| 3 / A |
> Structure: LSL
+7w
> Sequence: WRW
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BGC /(403) |
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | No SSE | 78 | TRP | CE3 | O3 | A | 403 | 3.76 | van der Waals | A | No SSE | 78 | TRP | CZ3 | O3 | A | 403 | 3.9 | van der Waals | A | No SSE | 78 | TRP | CZ3 | O4 | A | 403 | 3.69 | van der Waals | A | 83-86 S: -1 | 83 | ARG | CZ | O2 | A | 403 | 3.4 | van der Waals | A | 83-86 S: -1 | 83 | ARG | NH1 | C2 | A | 403 | 3.91 | H.Bond | A | 83-86 S: -1 | 83 | ARG | NH1 | C3 | A | 403 | 3.74 | H.Bond | A | 83-86 S: -1 | 83 | ARG | NH1 | O2 | A | 403 | 2.95 | H.Bond | A | 83-86 S: -1 | 83 | ARG | NH1 | O3 | A | 403 | 3.42 | H.Bond | A | 83-86 S: -1 | 83 | ARG | NH2 | O2 | A | 403 | 3.04 | H.Bond | A | No SSE | 129 | TRP | CD1 | C5 | A | 403 | 3.89 | van der Waals | A | No SSE | 129 | TRP | CD1 | C6 | A | 403 | 3.7 | van der Waals | A | No SSE | 129 | TRP | CD2 | C5 | A | 403 | 3.89 | van der Waals | A | No SSE | 129 | TRP | NE1 | C5 | A | 403 | 3.67 | H.Bond | A | No SSE | 129 | TRP | NE1 | C6 | A | 403 | 3.78 | H.Bond | A | No SSE | 129 | TRP | NE1 | O4 | A | 403 | 3.99 | H.Bond | A | No SSE | 129 | TRP | CE2 | C5 | A | 403 | 3.66 | van der Waals | A | No SSE | 129 | TRP | CE3 | C1 | A | 403 | 3.96 | van der Waals | A | No SSE | 129 | TRP | CZ2 | O4 | A | 403 | 3.91 | van der Waals | A | Water | 231 | HOH | O | O3 | A | 403 | 2.8 | H.Bond | A | Water | 246 | HOH | O | C2 | A | 403 | 3.84 | van der Waals | A | Water | 246 | HOH | O | C1 | A | 403 | 3.82 | van der Waals | A | Water | 246 | HOH | O | O5 | A | 403 | 3.2 | H.Bond | A | Water | 246 | HOH | O | O6 | A | 403 | 3.59 | H.Bond | A | Water | 437 | HOH | O | C6 | A | 403 | 3.4 | van der Waals | A | Water | 437 | HOH | O | O5 | A | 403 | 3.6 | H.Bond | A | Water | 437 | HOH | O | O6 | A | 403 | 2.62 | H.Bond | A | Water | 474 | HOH | O | C6 | A | 403 | 3.54 | van der Waals | A | Water | 474 | HOH | O | O6 | A | 403 | 2.71 | H.Bond | A | Water | 498 | HOH | O | C4 | A | 403 | 3.97 | van der Waals | A | Water | 498 | HOH | O | O3 | A | 403 | 3.89 | H.Bond | A | Water | 503 | HOH | O | C6 | A | 403 | 3.47 | van der Waals | A | Water | 532 | HOH | O | C2 | A | 403 | 3.4 | van der Waals | A | Water | 532 | HOH | O | O2 | A | 403 | 2.53 | H.Bond | |
| 4 / A |
> Structure: LLS
+10w
> Sequence: DWQ
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BGC /(404) |
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | No SSE | 76 | ASP | CG | C6 | A | 404 | 3.93 | van der Waals | A | No SSE | 76 | ASP | CG | O6 | A | 404 | 3.44 | van der Waals | A | No SSE | 76 | ASP | OD1 | C6 | A | 404 | 3.55 | van der Waals | A | No SSE | 76 | ASP | OD1 | O6 | A | 404 | 3.39 | H.Bond | A | No SSE | 76 | ASP | OD2 | C6 | A | 404 | 3.48 | van der Waals | A | No SSE | 76 | ASP | OD2 | O6 | A | 404 | 2.74 | H.Bond | A | No SSE | 78 | TRP | CB | C6 | A | 404 | 3.85 | van der Waals | A | No SSE | 78 | TRP | CG | C6 | A | 404 | 3.88 | van der Waals | A | No SSE | 78 | TRP | CD2 | C4 | A | 404 | 3.83 | van der Waals | A | No SSE | 78 | TRP | CD2 | C6 | A | 404 | 3.84 | van der Waals | A | No SSE | 78 | TRP | CE2 | C4 | A | 404 | 3.81 | van der Waals | A | No SSE | 78 | TRP | CE3 | C6 | A | 404 | 3.89 | van der Waals | A | No SSE | 78 | TRP | CE3 | O5 | A | 404 | 3.52 | van der Waals | A | No SSE | 78 | TRP | CZ3 | C2 | A | 404 | 3.9 | van der Waals | A | No SSE | 78 | TRP | CZ3 | C1 | A | 404 | 3.99 | van der Waals | A | No SSE | 78 | TRP | CZ3 | O5 | A | 404 | 3.65 | van der Waals | A | No SSE | 78 | TRP | CH2 | C2 | A | 404 | 3.76 | van der Waals | A | 130-131 S: -1 | 131 | GLN | CD | O2 | A | 404 | 3.46 | van der Waals | A | 130-131 S: -1 | 131 | GLN | CD | O3 | A | 404 | 3.99 | van der Waals | A | 130-131 S: -1 | 131 | GLN | OE1 | C2 | A | 404 | 3.29 | van der Waals | A | 130-131 S: -1 | 131 | GLN | OE1 | O2 | A | 404 | 2.72 | H.Bond | A | 130-131 S: -1 | 131 | GLN | NE2 | C2 | A | 404 | 3.88 | H.Bond | A | 130-131 S: -1 | 131 | GLN | NE2 | O2 | A | 404 | 3.54 | H.Bond | A | 130-131 S: -1 | 131 | GLN | NE2 | O3 | A | 404 | 3.11 | H.Bond | A | Water | 231 | HOH | O | O6 | A | 404 | 3.45 | H.Bond | A | Water | 286 | HOH | O | O3 | A | 404 | 3.81 | H.Bond | A | Water | 299 | HOH | O | O2 | A | 404 | 3.46 | H.Bond | A | Water | 363 | HOH | O | C3 | A | 404 | 3.85 | van der Waals | A | Water | 464 | HOH | O | C3 | A | 404 | 3.64 | van der Waals | A | Water | 464 | HOH | O | O2 | A | 404 | 3.49 | H.Bond | A | Water | 464 | HOH | O | O3 | A | 404 | 2.86 | H.Bond | A | Water | 476 | HOH | O | C2 | A | 404 | 3.93 | van der Waals | A | Water | 476 | HOH | O | O2 | A | 404 | 2.72 | H.Bond | A | Water | 481 | HOH | O | O2 | A | 404 | 3.38 | H.Bond | A | Water | 490 | HOH | O | O6 | A | 404 | 3.64 | H.Bond | A | Water | 498 | HOH | O | C5 | A | 404 | 3.58 | van der Waals | A | Water | 498 | HOH | O | C6 | A | 404 | 3.84 | van der Waals | A | Water | 498 | HOH | O | C1 | A | 404 | 3.83 | van der Waals | A | Water | 498 | HOH | O | O5 | A | 404 | 3.39 | H.Bond | A | Water | 498 | HOH | O | O6 | A | 404 | 2.84 | H.Bond | A | Water | 575 | HOH | O | C6 | A | 404 | 3.9 | van der Waals | A | Water | 575 | HOH | O | O4 | A | 404 | 3.63 | H.Bond | |