4K7Z
Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADP 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 | 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 | 41 |
| Details | BINDING SITE FOR RESIDUE FAD A 501 |
| Chain | Residue |
| A | ILE10 |
| A | THR41 |
| A | ALA42 |
| A | GLY46 |
| A | ALA47 |
| A | SER50 |
| A | LYS51 |
| A | GLY115 |
| A | GLU116 |
| A | ALA117 |
| A | ALA145 |
| A | GLY11 |
| A | THR146 |
| A | GLY147 |
| A | ARG269 |
| A | LEU276 |
| A | GLY308 |
| A | ASP309 |
| A | GLN315 |
| A | PHE316 |
| A | VAL317 |
| A | TYR318 |
| A | GLY13 |
| A | ALA320 |
| A | PHE348 |
| A | NAP502 |
| A | HOH601 |
| A | HOH603 |
| A | HOH604 |
| A | HOH612 |
| A | HOH619 |
| A | HOH660 |
| A | HOH661 |
| A | GLY14 |
| A | HOH904 |
| A | HOH1089 |
| A | ALA15 |
| A | ILE33 |
| A | GLU34 |
| A | ARG35 |
| A | GLY40 |
| site_id | AC2 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAP A 502 |
| 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 | ARG269 |
| A | GLN315 |
| A | PHE316 |
| A | VAL346 |
| A | FAD501 |
| A | HOH602 |
| A | HOH610 |
| A | HOH616 |
| A | HOH617 |
| A | HOH621 |
| A | HOH624 |
| A | HOH659 |
| A | HOH737 |
| A | HOH738 |
| A | HOH778 |
| A | HOH781 |
| A | HOH782 |
| A | HOH785 |
| A | HOH850 |
| A | HOH932 |
| A | HOH1035 |
| A | HOH1121 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE HG A 503 |
| Chain | Residue |
| A | VAL317 |
| A | TYR441 |
| A | CYS464 |
| A | CYS465 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 504 |
| Chain | Residue |
| A | ARG35 |
| A | ASN272 |
| A | THR273 |
| A | ARG274 |
| A | SER275 |
| A | HOH661 |
| A | HOH914 |
| A | HOH1111 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 505 |
| Chain | Residue |
| A | TRP164 |
| A | SER172 |
| A | LYS262 |
| A | HOH663 |
| A | HOH923 |
| A | HOH970 |
| A | HOH980 |
| A | HOH1160 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 506 |
| Chain | Residue |
| A | ARG141 |
| A | HOH1021 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 507 |
| Chain | Residue |
| A | GLU65 |
| A | SER66 |
| A | PRO67 |
| A | HOH710 |
| A | HOH715 |
| A | HOH799 |
| A | HOH1011 |
| A | HIS61 |
| A | LEU62 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 508 |
| Chain | Residue |
| A | GLN6 |
| A | GLN29 |
| A | GLN29 |
| A | THR31 |
| A | THR111 |
| A | ARG135 |
| A | HOH678 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 509 |
| Chain | Residue |
| A | SER161 |
| A | PRO162 |
| A | TYR163 |
| A | GLU168 |
| A | HOH899 |
| A | HOH1108 |
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 | CYS464 | |
| A | CYS465 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 277 |
| Chain | Residue | Details |
| A | ALA42 | activator, covalently attached, hydrogen bond acceptor, metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | ALA47 | activator, electrofuge, electrophile, metal ligand, nucleofuge, nucleophile, polar interaction |
| A | CYS464 | activator, electrostatic stabiliser, metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | CYS465 | activator, covalently attached, electrostatic stabiliser, hydrogen bond acceptor, metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor |
