9BK3
Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (R-enantiomer, orthorhombic P form)
This is a non-PDB format compatible entry.
Functional Information from PROSITE/UniProt
| site_id | PS00064 |
| Number of Residues | 7 |
| Details | L_LDH L-lactate dehydrogenase active site. LGEHGDS |
| Chain | Residue | Details |
| A | LEU189-SER195 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | HIS192 | |
| B | HIS192 | |
| C | HIS192 | |
| D | HIS192 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11276087 |
| Chain | Residue | Details |
| A | GLY28 | |
| A | ARG98 | |
| B | GLY28 | |
| B | ARG98 | |
| C | GLY28 | |
| C | ARG98 | |
| D | GLY28 | |
| D | ARG98 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ARG105 | |
| C | ASN137 | |
| C | ARG168 | |
| C | THR247 | |
| D | ARG105 | |
| D | ASN137 | |
| D | ARG168 | |
| D | THR247 | |
| A | ASN137 | |
| A | ARG168 | |
| A | THR247 | |
| B | ARG105 | |
| B | ASN137 | |
| B | ARG168 | |
| B | THR247 | |
| C | ARG105 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | MOD_RES: N-acetylalanine => ECO:0000269|Ref.10, ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895 |
| Chain | Residue | Details |
| A | ALA1 | |
| B | ALA1 | |
| C | ALA1 | |
| D | ALA1 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 12 |
| Details | MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:P06151 |
| Chain | Residue | Details |
| A | LYS4 | |
| D | LYS4 | |
| D | LYS117 | |
| D | LYS317 | |
| A | LYS117 | |
| A | LYS317 | |
| B | LYS4 | |
| B | LYS117 | |
| B | LYS317 | |
| C | LYS4 | |
| C | LYS117 | |
| C | LYS317 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:19690332 |
| Chain | Residue | Details |
| A | TYR9 | |
| B | TYR9 | |
| C | TYR9 | |
| D | TYR9 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 12 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS13 | |
| D | LYS13 | |
| D | LYS80 | |
| D | LYS125 | |
| A | LYS80 | |
| A | LYS125 | |
| B | LYS13 | |
| B | LYS80 | |
| B | LYS125 | |
| C | LYS13 | |
| C | LYS80 | |
| C | LYS125 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | THR17 | |
| B | THR17 | |
| C | THR17 | |
| D | THR17 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine; alternate => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS56 | |
| B | LYS56 | |
| C | LYS56 | |
| D | LYS56 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 12 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P06151 |
| Chain | Residue | Details |
| A | LYS223 | |
| D | LYS223 | |
| D | LYS231 | |
| D | LYS242 | |
| A | LYS231 | |
| A | LYS242 | |
| B | LYS223 | |
| B | LYS231 | |
| B | LYS242 | |
| C | LYS223 | |
| C | LYS231 | |
| C | LYS242 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:P06151 |
| Chain | Residue | Details |
| A | TYR238 | |
| B | TYR238 | |
| C | TYR238 | |
| D | TYR238 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 8 |
| Details | MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P04642 |
| Chain | Residue | Details |
| A | THR308 | |
| A | THR321 | |
| B | THR308 | |
| B | THR321 | |
| C | THR308 | |
| C | THR321 | |
| D | THR308 | |
| D | THR321 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | SER309 | |
| B | SER309 | |
| C | SER309 | |
| D | SER309 |
| site_id | SWS_FT_FI14 |
| Number of Residues | 8 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| A | LYS56 | |
| B | LYS56 | |
| C | LYS56 | |
| D | LYS56 |
