Finding MtlSFMs for Metals in the PDB entry '4AX3' ... |
PDB Entry | Title | Determination Method | Resolution | R-Factor |
4AX3 | STRUCTURE OF THREE-DOMAIN HEME-CU NITRITE REDUCTAS | X-RAY DIFFRACTION | 1.6 | 0.165
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| 4AX3 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: LLLHL
> Sequence: PHCHM
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CU /(501) |
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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 | 93 | PRO | O | CU | A | 501 | 3.99 | van der Waals | A | No SSE | 94 | HIS | CA | CU | A | 501 | 3.77 | van der Waals | A | No SSE | 94 | HIS | CB | CU | A | 501 | 3.49 | van der Waals | A | No SSE | 94 | HIS | CG | CU | A | 501 | 3.1 | van der Waals | A | No SSE | 94 | HIS | ND1 | CU | A | 501 | 2.05 | H.Bond | A | No SSE | 94 | HIS | CE1 | CU | A | 501 | 2.96 | van der Waals | A | No SSE | 135 | CYS | CB | CU | A | 501 | 3.23 | van der Waals | A | No SSE | 135 | CYS | SG | CU | A | 501 | 2.25 | van der Waals | A | 139-146 H: 1 | 143 | HIS | CB | CU | A | 501 | 3.49 | van der Waals | A | 139-146 H: 1 | 143 | HIS | CG | CU | A | 501 | 3.07 | van der Waals | A | 139-146 H: 1 | 143 | HIS | ND1 | CU | A | 501 | 2.02 | H.Bond | A | 139-146 H: 1 | 143 | HIS | CE1 | CU | A | 501 | 2.93 | van der Waals | A | No SSE | 148 | MET | SD | CU | A | 501 | 2.62 | van der Waals | A | No SSE | 148 | MET | CE | CU | A | 501 | 3.31 | van der Waals | |
| 2 / A |
> Structure: SLS
> Sequence: DHH
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CU /(502) |
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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 | 97-98 S: -1 | 97 | ASP | OD2 | CU | A | 502 | 3.86 | van der Waals | A | No SSE | 99 | HIS | CD2 | CU | A | 502 | 3.09 | van der Waals | A | No SSE | 99 | HIS | CE1 | CU | A | 502 | 2.97 | van der Waals | A | No SSE | 99 | HIS | NE2 | CU | A | 502 | 2.03 | H.Bond | A | 129-134 S: -1 | 134 | HIS | CD2 | CU | A | 502 | 2.91 | van der Waals | A | 129-134 S: -1 | 134 | HIS | CE1 | CU | A | 502 | 3.1 | van der Waals | A | 129-134 S: -1 | 134 | HIS | NE2 | CU | A | 502 | 2.03 | H.Bond | |
| 3 / B |
> Structure: LLHL
> Sequence: HCHM
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CU /(501) |
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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 | 94 | HIS | CA | CU | B | 501 | 3.8 | van der Waals | B | No SSE | 94 | HIS | CB | CU | B | 501 | 3.47 | van der Waals | B | No SSE | 94 | HIS | CG | CU | B | 501 | 3.08 | van der Waals | B | No SSE | 94 | HIS | ND1 | CU | B | 501 | 2.04 | H.Bond | B | No SSE | 94 | HIS | CE1 | CU | B | 501 | 2.95 | van der Waals | B | No SSE | 135 | CYS | CB | CU | B | 501 | 3.28 | van der Waals | B | No SSE | 135 | CYS | SG | CU | B | 501 | 2.23 | van der Waals | B | 139-146 H: 1 | 143 | HIS | CB | CU | B | 501 | 3.55 | van der Waals | B | 139-146 H: 1 | 143 | HIS | CG | CU | B | 501 | 3.13 | van der Waals | B | 139-146 H: 1 | 143 | HIS | ND1 | CU | B | 501 | 2.1 | H.Bond | B | 139-146 H: 1 | 143 | HIS | CE1 | CU | B | 501 | 2.94 | van der Waals | B | No SSE | 148 | MET | SD | CU | B | 501 | 2.59 | van der Waals | B | No SSE | 148 | MET | CE | CU | B | 501 | 3.33 | van der Waals | |
| 4 / B |
> Structure: SLS
+1w
> Sequence: DHH
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CU /(502) |
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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 | 97-98 S: -1 | 97 | ASP | OD2 | CU | B | 502 | 3.88 | van der Waals | B | No SSE | 99 | HIS | CD2 | CU | B | 502 | 3.05 | van der Waals | B | No SSE | 99 | HIS | CE1 | CU | B | 502 | 2.91 | van der Waals | B | No SSE | 99 | HIS | NE2 | CU | B | 502 | 1.97 | H.Bond, Covalent | B | 129-134 S: -1 | 134 | HIS | CD2 | CU | B | 502 | 2.91 | van der Waals | B | 129-134 S: -1 | 134 | HIS | CE1 | CU | B | 502 | 3.09 | van der Waals | B | 129-134 S: -1 | 134 | HIS | NE2 | CU | B | 502 | 2.02 | H.Bond | B | Water | 2230 | HOH | O | CU | B | 502 | 2.07 | van der Waals | |
| 5 / C |
> Structure: LLHL
> Sequence: HCHM
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CU /(501) |
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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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C | No SSE | 94 | HIS | CA | CU | C | 501 | 3.76 | van der Waals | C | No SSE | 94 | HIS | CB | CU | C | 501 | 3.49 | van der Waals | C | No SSE | 94 | HIS | CG | CU | C | 501 | 3.1 | van der Waals | C | No SSE | 94 | HIS | ND1 | CU | C | 501 | 2.05 | H.Bond | C | No SSE | 94 | HIS | CE1 | CU | C | 501 | 2.96 | van der Waals | C | No SSE | 135 | CYS | CB | CU | C | 501 | 3.19 | van der Waals | C | No SSE | 135 | CYS | SG | CU | C | 501 | 2.19 | van der Waals | C | 139-146 H: 1 | 143 | HIS | CB | CU | C | 501 | 3.5 | van der Waals | C | 139-146 H: 1 | 143 | HIS | CG | CU | C | 501 | 3.09 | van der Waals | C | 139-146 H: 1 | 143 | HIS | ND1 | CU | C | 501 | 2.08 | H.Bond | C | 139-146 H: 1 | 143 | HIS | CE1 | CU | C | 501 | 2.95 | van der Waals | C | No SSE | 148 | MET | SD | CU | C | 501 | 2.59 | van der Waals | C | No SSE | 148 | MET | CE | CU | C | 501 | 3.33 | van der Waals | |
| 6 / C |
> Structure: SLS
+1w
> Sequence: DHH
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CU /(502) |
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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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C | 97-98 S: -1 | 97 | ASP | OD2 | CU | C | 502 | 3.85 | van der Waals | C | No SSE | 99 | HIS | CD2 | CU | C | 502 | 3.05 | van der Waals | C | No SSE | 99 | HIS | CE1 | CU | C | 502 | 3.01 | van der Waals | C | No SSE | 99 | HIS | NE2 | CU | C | 502 | 2.03 | H.Bond | C | 129-134 S: -1 | 134 | HIS | CD2 | CU | C | 502 | 2.97 | van der Waals | C | 129-134 S: -1 | 134 | HIS | CE1 | CU | C | 502 | 3.07 | van der Waals | C | 129-134 S: -1 | 134 | HIS | NE2 | CU | C | 502 | 2.03 | H.Bond | C | Water | 2244 | HOH | O | CU | C | 502 | 2.06 | van der Waals | |
| 7 / D |
> Structure: LLHL
> Sequence: HCHM
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CU /(501) |
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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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D | No SSE | 94 | HIS | CA | CU | D | 501 | 3.73 | van der Waals | D | No SSE | 94 | HIS | CB | CU | D | 501 | 3.44 | van der Waals | D | No SSE | 94 | HIS | CG | CU | D | 501 | 3.09 | van der Waals | D | No SSE | 94 | HIS | ND1 | CU | D | 501 | 2.06 | H.Bond | D | No SSE | 94 | HIS | CE1 | CU | D | 501 | 2.98 | van der Waals | D | No SSE | 135 | CYS | CB | CU | D | 501 | 3.23 | van der Waals | D | No SSE | 135 | CYS | SG | CU | D | 501 | 2.22 | van der Waals | D | 139-146 H: 1 | 143 | HIS | CB | CU | D | 501 | 3.54 | van der Waals | D | 139-146 H: 1 | 143 | HIS | CG | CU | D | 501 | 3.15 | van der Waals | D | 139-146 H: 1 | 143 | HIS | ND1 | CU | D | 501 | 2.13 | H.Bond | D | 139-146 H: 1 | 143 | HIS | CE1 | CU | D | 501 | 3.02 | van der Waals | D | No SSE | 148 | MET | SD | CU | D | 501 | 2.57 | van der Waals | D | No SSE | 148 | MET | CE | CU | D | 501 | 3.39 | van der Waals | |