MolNFT v1 · #167690 · protein
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3- ((thiophen-2-YLTHIO)METHYL)BENZOIC acid (fragment 13)
6VSD: “Mycobacterium tuberculosis dihydrofolate reductase in complex with 3- ((thiophen-2-YLTHIO)METHYL)BENZOIC acid…”. X-ray diffraction, 5 ligands (JBB, NAP, CO). MolNFT v1 #167690 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6VSD
- Type
- protein
- Length
- 318 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P9WNX1
- Ligands
- JBB, NAP, CO, SO4, PO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 159 | — | P9WNX1 |
Ligands and binding sites
- JBB · 3-(thiophen-2-ylsulfanylmethyl)benzoic acid · ligand · 2 copies · chains A, B
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- CO · Cobalt (II) ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- PO4 · Phosphate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6VSD · Mycobacterium tuberculosis dihydrofolate reductase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WNX1 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P9WNX1) · a predicted model of the same protein · chain B against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P9WNX1
- Elsewhere: RCSB PDB 6VSD · PDBe 6VSD · UniProt P9WNX1
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