4K8D
Crystal structure of the C558(464)A/C559(465)A double mutant of Tn501 MerA in complex with NADPH and Hg2+
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016152 | molecular_function | mercury (II) reductase (NADP+) activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
| A | 0045340 | molecular_function | mercury ion binding |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0050661 | molecular_function | NADP binding |
| A | 0050787 | biological_process | detoxification of mercury ion |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 501 |
| Chain | Residue |
| A | ARG35 |
| A | ASN272 |
| A | THR273 |
| A | ARG274 |
| A | SER275 |
| A | HOH730 |
| A | HOH896 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 502 |
| Chain | Residue |
| A | LYS262 |
| A | HOH729 |
| A | HOH839 |
| A | HOH901 |
| A | HOH936 |
| A | TRP164 |
| A | SER172 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 503 |
| Chain | Residue |
| A | GLN6 |
| A | GLN29 |
| A | GLN29 |
| A | THR31 |
| A | THR111 |
| A | ARG135 |
| A | HOH741 |
| site_id | AC4 |
| Number of Residues | 39 |
| Details | BINDING SITE FOR RESIDUE FAD A 504 |
| Chain | Residue |
| A | ILE10 |
| A | GLY11 |
| A | GLY13 |
| A | GLY14 |
| A | ALA15 |
| A | ILE33 |
| A | GLU34 |
| A | ARG35 |
| A | GLY40 |
| A | THR41 |
| A | CYS42 |
| A | GLY46 |
| A | CYS47 |
| A | SER50 |
| A | LYS51 |
| A | GLY115 |
| A | GLU116 |
| A | ALA117 |
| A | ALA145 |
| A | THR146 |
| A | GLY147 |
| A | ARG269 |
| A | LEU276 |
| A | GLY308 |
| A | ASP309 |
| A | GLN315 |
| A | PHE316 |
| A | VAL317 |
| A | TYR318 |
| A | PHE348 |
| A | NDP505 |
| A | HOH609 |
| A | HOH671 |
| A | HOH673 |
| A | HOH702 |
| A | HOH703 |
| A | HOH707 |
| A | HOH730 |
| A | HOH759 |
| site_id | AC5 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NDP A 505 |
| Chain | Residue |
| A | PRO153 |
| A | SER184 |
| A | SER185 |
| A | VAL186 |
| A | VAL187 |
| A | GLU190 |
| A | ARG207 |
| A | ASN208 |
| A | PHE212 |
| A | ARG213 |
| A | THR267 |
| A | GLY268 |
| A | GLN315 |
| A | PHE316 |
| A | VAL346 |
| A | PHE348 |
| A | FAD504 |
| A | HOH633 |
| A | HOH641 |
| A | HOH642 |
| A | HOH670 |
| A | HOH672 |
| A | HOH688 |
| A | HOH691 |
| A | HOH695 |
| A | HOH715 |
| A | HOH750 |
| A | HOH780 |
| A | HOH933 |
| A | HOH969 |
Functional Information from PROSITE/UniProt
| site_id | PS00076 |
| Number of Residues | 11 |
| Details | PYRIDINE_REDOX_1 Pyridine nucleotide-disulphide oxidoreductases class-I active site. GGtCVnvGCVP |
| Chain | Residue | Details |
| A | GLY39-PRO49 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 7 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:16114877, ECO:0007744|PDB:1ZK7 |
| Chain | Residue | Details |
| A | ALA16 | |
| A | GLY36 | |
| A | THR41 | |
| A | LYS51 | |
| A | ALA117 | |
| A | ASP309 | |
| A | VAL317 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|Ref.5, ECO:0007744|PDB:4K7Z |
| Chain | Residue | Details |
| A | ALA464 | |
| A | ALA465 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 277 |
| Chain | Residue | Details |
| A | CYS42 | activator, covalently attached, hydrogen bond acceptor, metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | CYS47 | activator, electrofuge, electrophile, metal ligand, nucleofuge, nucleophile, polar interaction |
| A | ALA464 | activator, electrostatic stabiliser, metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | ALA465 | activator, covalently attached, electrostatic stabiliser, hydrogen bond acceptor, metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor |
