Structure of PDB 4jnk Chain D
Receptor sequence
| >4jnkD (length=331) Species: 9606 (Homo sapiens) [Search protein sequence] |
| ATLKDQLIYNLLKEEQTPQNKITVVGVGAVGMACAISILMKDLADELALV DVIEDKLKGEMMDLQHGSLFLRTPKIVSGKDYNVTANSKLVIITAGARQQ EGESRLNLVQRNVNIFKFIIPNVVKYSPNCKLLIVSNPVDILTYVAWKIS GFPKNRVIGSGCNLDSARFRYLMGERLGVHPLSCHGWVLGEHGDSSVPVW SGMNVAGVSLKTLHPDLGTDKDKEQWKEVHKQVVESAYEVIKLKGYTSWA IGLSVADLAESIMKNLRRVHPVSTMIKGLYGIKDDVFLSVPCILGQNGIS DLVKVTLTSEEEARLKKSADTLWGIQKELQF |
3D structure
| PDB | 4jnk Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase. | ||
| Chain | D | ||
| Resolution | 1.896 Å | ||
| 3D structure |
|
Enzymatic activity
| Catalytic site (original residue number in PDB) | R105 D165 R168 H192 |
| Catalytic site (residue number reindexed from 1) | R105 D165 R168 H192 |
| Enzyme Commision number | 1.1.1.27: L-lactate dehydrogenase. |
Interaction with ligand
| Site # |
Ligand | Ligand chain |
Binding residues on receptor (original residue number in PDB) |
Binding residues on receptor (residue number reindexed from 1) |
Binding affinity |
|---|---|---|---|---|---|
| BS01 | NAI | D | G28 V30 D51 V52 I53 T94 A95 R98 I119 V135 N137 H192 I251 | G28 V30 D51 V52 I53 T94 A95 R98 I119 V135 N137 H192 I251 | |
| BS02 | ZHK | D | Q99 R105 L108 N137 P138 D140 E191 H192 D194 | Q99 R105 L108 N137 P138 D140 E191 H192 D194 | MOAD: Kd=5.1uM BindingDB: IC50=750nM,Kd=5100nM |
Gene Ontology
| Molecular Function | |
|---|---|
| GO:0003824 | catalytic activity |
| GO:0004459 | L-lactate dehydrogenase activity |
| GO:0005515 | protein binding |
| GO:0016491 | oxidoreductase activity |
| GO:0016616 | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| GO:0042802 | identical protein binding |
| GO:0045296 | cadherin binding |
