Finding MtlSFMs for Metals in the PDB entry '3U8I' ... |
PDB Entry | Title | Determination Method | Resolution | R-Factor |
3U8I | FUNCTIONALLY SELECTIVE INHIBITION OF GROUP IIA PHO | X-RAY DIFFRACTION | 1.10 | 0.205
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| 3U8I has 7 MtlSFMs: |
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| Motif No. / Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLLLH
+2w
> Sequence: FGCYN
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CA /(201) |
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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 | 23 | PHE | C | CA | A | 201 | 3.34 | Ionic | A | No SSE | 23 | PHE | O | CA | A | 201 | 2.39 | Ionic | A | No SSE | 23 | PHE | HA | CA | A | 201 | 3.65 | Ionic | A | No SSE | 23 | PHE | HB3 | CA | A | 201 | 3.93 | Ionic | A | No SSE | 25 | GLY | C | CA | A | 201 | 3.5 | Ionic | A | No SSE | 25 | GLY | O | CA | A | 201 | 2.33 | Ionic | A | No SSE | 26 | CYS | HA | CA | A | 201 | 3.66 | Ionic | A | No SSE | 112 | TYR | C | CA | A | 201 | 3.5 | Ionic | A | No SSE | 112 | TYR | O | CA | A | 201 | 2.29 | Ionic | A | No SSE | 112 | TYR | HB3 | CA | A | 201 | 3.34 | Ionic | A | 113-117 H: 5 | 114 | ASN | CG | CA | A | 201 | 3.44 | Ionic | A | 113-117 H: 5 | 114 | ASN | OD1 | CA | A | 201 | 2.35 | Ionic | A | 113-117 H: 5 | 114 | ASN | ND2 | CA | A | 201 | 3.98 | Ionic | A | 113-117 H: 5 | 114 | ASN | D21 | CA | A | 201 | 3.71 | Ionic | A | Water | 401 | HOH | O | CA | A | 201 | 2.33 | Ionic | A | Water | 403 | HOH | O | CA | A | 201 | 2.37 | Ionic | |
| 2 / A |
> Structure: LLLH
+2w
> Sequence: HGGD
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CA /(202) |
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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 | 27 | HIS | C | CA | A | 202 | 3.35 | Ionic | A | No SSE | 27 | HIS | O | CA | A | 202 | 2.29 | Ionic | A | No SSE | 27 | HIS | HA | CA | A | 202 | 3.62 | Ionic | A | No SSE | 29 | GLY | N | CA | A | 202 | 3.96 | Ionic | A | No SSE | 29 | GLY | C | CA | A | 202 | 3.48 | Ionic | A | No SSE | 29 | GLY | O | CA | A | 202 | 2.28 | Ionic | A | No SSE | 29 | GLY | H | CA | A | 202 | 3.99 | Ionic | A | No SSE | 31 | GLY | N | CA | A | 202 | 3.86 | Ionic | A | No SSE | 31 | GLY | C | CA | A | 202 | 3.52 | Ionic | A | No SSE | 31 | GLY | O | CA | A | 202 | 2.38 | Ionic | A | No SSE | 31 | GLY | H | CA | A | 202 | 3.81 | Ionic | A | 38-57 H: 1 | 48 | ASP | CG | CA | A | 202 | 3.16 | Ionic | A | 38-57 H: 1 | 48 | ASP | OD1 | CA | A | 202 | 3.21 | Ionic | A | 38-57 H: 1 | 48 | ASP | OD2 | CA | A | 202 | 2.38 | Ionic | A | Water | 425 | HOH | O | CA | A | 202 | 2.41 | Ionic | A | Water | 443 | HOH | O | CA | A | 202 | 2.77 | Ionic | |
| 3 / A |
> Structure: LHL
+3w
> Sequence: PRVP
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NA /(204) |
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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 | 36 | PRO | CG | NA | A | 204 | 3.8 | H.Bond | A | No SSE | 36 | PRO | HG2 | NA | A | 204 | 3.87 | | A | No SSE | 36 | PRO | HG3 | NA | A | 204 | 2.94 | | A | 38-57 H: 1 | 42 | ARG | CG | NA | A | 204 | 3.74 | H.Bond | A | 38-57 H: 1 | 42 | ARG | CD | NA | A | 204 | 3.87 | H.Bond | A | 38-57 H: 1 | 42 | ARG | HA | NA | A | 204 | 3.81 | | A | 38-57 H: 1 | 42 | ARG | HB3 | NA | A | 204 | 3.72 | | A | 38-57 H: 1 | 42 | ARG | HG2 | NA | A | 204 | 3.03 | | A | 38-57 H: 1 | 42 | ARG | HD2 | NA | A | 204 | 3.32 | | A | 38-57 H: 1 | 42 | ARG | HD3 | NA | A | 204 | 3.99 | | A | 38-57 H: 1 | 45 | VAL | CG1 | NA | A | 204 | 3.89 | H.Bond | A | 38-57 H: 1 | 45 | VAL | HB | NA | A | 204 | 3.63 | | A | 38-57 H: 1 | 45 | VAL | G11 | NA | A | 204 | 3.07 | | A | 38-57 H: 1 | 45 | VAL | G21 | NA | A | 204 | 3.31 | | A | No SSE | 122 | PRO | CG | NA | A | 204 | 3.74 | H.Bond | A | No SSE | 122 | PRO | HB3 | NA | A | 204 | 3.63 | | A | No SSE | 122 | PRO | HG2 | NA | A | 204 | 3.41 | | A | No SSE | 122 | PRO | HG3 | NA | A | 204 | 3.34 | | A | Water | 168 | HOH | O | NA | A | 204 | 3.17 | H.Bond | A | Water | 294 | HOH | O | NA | A | 204 | 3.1 | H.Bond | A | Water | 413 | HOH | O | NA | A | 204 | 3.11 | H.Bond | |
| 4 / A |
> Structure: LLLH
+1w
> Sequence: SYKR
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NA /(125) |
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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 | 65 | SER | C | NA | A | 125 | 3.76 | H.Bond | A | No SSE | 65 | SER | O | NA | A | 125 | 3.8 | H.Bond | A | No SSE | 65 | SER | CB | NA | A | 125 | 3.73 | H.Bond | A | No SSE | 65 | SER | OG | NA | A | 125 | 3.1 | H.Bond | A | No SSE | 65 | SER | HB2 | NA | A | 125 | 3.37 | | A | No SSE | 65 | SER | HG | NA | A | 125 | 3.08 | | A | No SSE | 66 | TYR | N | NA | A | 125 | 3.82 | H.Bond | A | No SSE | 66 | TYR | CA | NA | A | 125 | 3.76 | H.Bond | A | No SSE | 66 | TYR | C | NA | A | 125 | 3.89 | H.Bond | A | No SSE | 66 | TYR | HA | NA | A | 125 | 3.16 | | A | No SSE | 67 | LYS | CG | NA | A | 125 | 3.91 | H.Bond | A | No SSE | 67 | LYS | HG3 | NA | A | 125 | 2.99 | | A | No SSE | 67 | LYS | HE3 | NA | A | 125 | 3.36 | | A | 81-101 H: 1 | 84 | ARG | NH1 | NA | A | 125 | 3.93 | H.Bond | A | 81-101 H: 1 | 84 | ARG | HD3 | NA | A | 125 | 3.48 | | A | 81-101 H: 1 | 84 | ARG | H11 | NA | A | 125 | 3.54 | | A | Water | 171 | HOH | O | NA | A | 125 | 3.27 | H.Bond | |
| 5 / B |
> Structure: LLLLH
+2w
> Sequence: FGCYN
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CA /(201) |
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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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B | No SSE | 23 | PHE | C | CA | B | 201 | 3.33 | Ionic | B | No SSE | 23 | PHE | O | CA | B | 201 | 2.38 | Ionic | B | No SSE | 23 | PHE | HA | CA | B | 201 | 3.66 | Ionic | B | No SSE | 23 | PHE | HB3 | CA | B | 201 | 3.92 | Ionic | B | No SSE | 25 | GLY | C | CA | B | 201 | 3.49 | Ionic | B | No SSE | 25 | GLY | O | CA | B | 201 | 2.31 | Ionic | B | No SSE | 26 | CYS | HA | CA | B | 201 | 3.67 | Ionic | B | No SSE | 112 | TYR | C | CA | B | 201 | 3.48 | Ionic | B | No SSE | 112 | TYR | O | CA | B | 201 | 2.28 | Ionic | B | No SSE | 112 | TYR | HB3 | CA | B | 201 | 3.32 | Ionic | B | 113-117 H: 5 | 114 | ASN | CG | CA | B | 201 | 3.43 | Ionic | B | 113-117 H: 5 | 114 | ASN | OD1 | CA | B | 201 | 2.35 | Ionic | B | 113-117 H: 5 | 114 | ASN | ND2 | CA | B | 201 | 3.96 | Ionic | B | 113-117 H: 5 | 114 | ASN | D21 | CA | B | 201 | 3.67 | Ionic | B | Water | 402 | HOH | O | CA | B | 201 | 2.33 | Ionic | B | Water | 404 | HOH | O | CA | B | 201 | 2.38 | Ionic | |
| 6 / B |
> Structure: LLLH
+2w
> Sequence: HGGD
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CA /(202) |
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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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B | No SSE | 27 | HIS | C | CA | B | 202 | 3.35 | Ionic | B | No SSE | 27 | HIS | O | CA | B | 202 | 2.3 | Ionic | B | No SSE | 27 | HIS | HA | CA | B | 202 | 3.62 | Ionic | B | No SSE | 29 | GLY | N | CA | B | 202 | 3.95 | Ionic | B | No SSE | 29 | GLY | C | CA | B | 202 | 3.46 | Ionic | B | No SSE | 29 | GLY | O | CA | B | 202 | 2.26 | Ionic | B | No SSE | 29 | GLY | H | CA | B | 202 | 3.97 | Ionic | B | No SSE | 31 | GLY | N | CA | B | 202 | 3.84 | Ionic | B | No SSE | 31 | GLY | C | CA | B | 202 | 3.51 | Ionic | B | No SSE | 31 | GLY | O | CA | B | 202 | 2.37 | Ionic | B | No SSE | 31 | GLY | H | CA | B | 202 | 3.77 | Ionic | B | 38-57 H: 1 | 48 | ASP | CG | CA | B | 202 | 3.16 | Ionic | B | 38-57 H: 1 | 48 | ASP | OD1 | CA | B | 202 | 3.23 | Ionic | B | 38-57 H: 1 | 48 | ASP | OD2 | CA | B | 202 | 2.36 | Ionic | B | Water | 428 | HOH | O | CA | B | 202 | 2.4 | Ionic | B | Water | 442 | HOH | O | CA | B | 202 | 2.79 | Ionic | |
| 7 / B |
> Structure: LHL
+3w
> Sequence: PRVP
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NA /(204) |
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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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B | No SSE | 36 | PRO | CG | NA | B | 204 | 3.8 | H.Bond | B | No SSE | 36 | PRO | HG2 | NA | B | 204 | 3.84 | | B | No SSE | 36 | PRO | HG3 | NA | B | 204 | 2.95 | | B | 38-57 H: 1 | 42 | ARG | CG | NA | B | 204 | 3.73 | H.Bond | B | 38-57 H: 1 | 42 | ARG | CD | NA | B | 204 | 3.87 | H.Bond | B | 38-57 H: 1 | 42 | ARG | HA | NA | B | 204 | 3.8 | | B | 38-57 H: 1 | 42 | ARG | HB3 | NA | B | 204 | 3.76 | | B | 38-57 H: 1 | 42 | ARG | HG2 | NA | B | 204 | 3.01 | | B | 38-57 H: 1 | 42 | ARG | HD2 | NA | B | 204 | 3.32 | | B | 38-57 H: 1 | 42 | ARG | HD3 | NA | B | 204 | 3.99 | | B | 38-57 H: 1 | 45 | VAL | CG1 | NA | B | 204 | 3.9 | H.Bond | B | 38-57 H: 1 | 45 | VAL | HB | NA | B | 204 | 3.66 | | B | 38-57 H: 1 | 45 | VAL | G11 | NA | B | 204 | 3.08 | | B | 38-57 H: 1 | 45 | VAL | G21 | NA | B | 204 | 3.3 | | B | No SSE | 122 | PRO | CG | NA | B | 204 | 3.76 | H.Bond | B | No SSE | 122 | PRO | HB3 | NA | B | 204 | 3.61 | | B | No SSE | 122 | PRO | HG2 | NA | B | 204 | 3.43 | | B | No SSE | 122 | PRO | HG3 | NA | B | 204 | 3.36 | | B | Water | 211 | HOH | O | NA | B | 204 | 3.12 | H.Bond | B | Water | 218 | HOH | O | NA | B | 204 | 3.13 | H.Bond | B | Water | 290 | HOH | O | NA | B | 204 | 3.1 | H.Bond | |