6C1W
A tethered niacin-derived pincer complex with a nickel-carbon or sulfite-carbon bond in lactate racemase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050043 | molecular_function | lactate racemase activity |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050043 | molecular_function | lactate racemase activity |
| C | 0016853 | molecular_function | isomerase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0050043 | molecular_function | lactate racemase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 21 |
| Details | binding site for residue ENJ A 501 |
| Chain | Residue |
| A | SER71 |
| A | PHE176 |
| A | SER180 |
| A | GLY181 |
| A | LYS184 |
| A | PRO188 |
| A | GLY189 |
| A | HIS200 |
| A | TYR294 |
| A | LYS298 |
| A | NI502 |
| A | ASP72 |
| A | HOH606 |
| A | HOH616 |
| A | THR74 |
| A | ARG75 |
| A | ALA104 |
| A | PHE107 |
| A | HIS108 |
| A | PHE170 |
| A | HIS174 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue NI A 502 |
| Chain | Residue |
| A | PRO188 |
| A | HIS200 |
| A | ENJ501 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 503 |
| Chain | Residue |
| A | ARG109 |
| A | ASN292 |
| A | ASP321 |
| A | HIS323 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 504 |
| Chain | Residue |
| A | SER38 |
| A | GLU39 |
| A | LYS246 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 505 |
| Chain | Residue |
| A | SER207 |
| A | PRO208 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 506 |
| Chain | Residue |
| A | HIS217 |
| A | LYS222 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue NI B 502 |
| Chain | Residue |
| B | PRO188 |
| B | HIS200 |
| B | 4EY501 |
| B | SO4503 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 B 503 |
| Chain | Residue |
| B | ARG75 |
| B | HIS108 |
| B | HIS174 |
| B | TYR294 |
| B | GLN295 |
| B | LYS298 |
| B | 4EY501 |
| B | NI502 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 504 |
| Chain | Residue |
| B | LYS10 |
| B | ARG320 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 505 |
| Chain | Residue |
| B | SER38 |
| B | GLU39 |
| B | LYS246 |
| B | HOH628 |
| site_id | AD2 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 506 |
| Chain | Residue |
| B | SER149 |
| B | ARG350 |
| site_id | AD3 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 507 |
| Chain | Residue |
| B | PRO349 |
| B | ARG350 |
| site_id | AD4 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 508 |
| Chain | Residue |
| B | HIS217 |
| B | LYS222 |
| site_id | AD5 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 509 |
| Chain | Residue |
| B | ARG11 |
| B | THR12 |
| site_id | AD6 |
| Number of Residues | 1 |
| Details | binding site for residue SO4 B 510 |
| Chain | Residue |
| B | ARG98 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue NI C 502 |
| Chain | Residue |
| C | PRO188 |
| C | HIS200 |
| C | 4EY501 |
| site_id | AD8 |
| Number of Residues | 7 |
| Details | binding site for residue SO3 C 503 |
| Chain | Residue |
| C | ARG75 |
| C | HIS108 |
| C | HIS174 |
| C | TYR294 |
| C | GLN295 |
| C | LYS298 |
| C | 4EY501 |
| site_id | AD9 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 C 504 |
| Chain | Residue |
| A | LYS194 |
| C | ARG320 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 505 |
| Chain | Residue |
| C | SER38 |
| C | GLU39 |
| C | LYS246 |
| site_id | AE2 |
| Number of Residues | 1 |
| Details | binding site for residue SO4 C 506 |
| Chain | Residue |
| C | ARG350 |
| site_id | AE3 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 507 |
| Chain | Residue |
| C | PRO349 |
| C | ARG350 |
| C | LEU351 |
| site_id | AE4 |
| Number of Residues | 26 |
| Details | binding site for Di-peptide 4EY B 501 and LYS B 184 |
| Chain | Residue |
| B | PRO188 |
| B | GLY189 |
| B | HIS200 |
| B | TRP358 |
| B | NI502 |
| B | SO4503 |
| B | HOH601 |
| B | HOH605 |
| B | SER71 |
| B | ASP72 |
| B | THR74 |
| B | ARG75 |
| B | ALA104 |
| B | PHE107 |
| B | HIS108 |
| B | PHE170 |
| B | HIS174 |
| B | PHE176 |
| B | ALA177 |
| B | SER180 |
| B | GLY181 |
| B | GLY182 |
| B | ARG183 |
| B | SER185 |
| B | VAL186 |
| B | LEU187 |
| site_id | AE5 |
| Number of Residues | 25 |
| Details | binding site for Di-peptide 4EY C 501 and LYS C 184 |
| Chain | Residue |
| C | SER71 |
| C | ASP72 |
| C | THR74 |
| C | ARG75 |
| C | ALA104 |
| C | PHE107 |
| C | HIS108 |
| C | HIS174 |
| C | PHE176 |
| C | SER180 |
| C | GLY181 |
| C | GLY182 |
| C | ARG183 |
| C | SER185 |
| C | VAL186 |
| C | LEU187 |
| C | PRO188 |
| C | GLY189 |
| C | HIS200 |
| C | TYR294 |
| C | TRP358 |
| C | NI502 |
| C | SO3503 |
| C | HOH605 |
| C | HOH608 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"PubMed","id":"26138974","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"26138974","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | Binding site: {"description":"covalent","evidences":[{"source":"PubMed","id":"26138974","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27114550","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"26138974","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
