MolNFT v1 · #129384 · protein
Inha (T2A mutant) complexed with 5-((5-amino-3-methyl-1H-pyrazol-1- YL)METHYL)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4- thiadiazol-2-amine
5OIT: “Inha (T2A mutant) complexed with 5-((5-amino-3-methyl-1H-pyrazol-1…”. X-ray diffraction, 2 ligands (9WH, NAD). MolNFT v1 #129384 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5OIT
- Type
- protein
- Length
- 1,072 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P9WGR1
- Ligands
- 9WH, NAD
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, D, F, H | — | protein | 268 | — | P9WGR1 |
Ligands and binding sites
- 9WH · 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3, 4-thiadiazol-2-amine · ligand · 4 copies · chains B, D, F, H
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 4 copies · chains B, D, F, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5OIT · InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chlo… · the same entry in another collection · chain B against B, TM-score 1.00
- P9WGR1 · AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase [NADH]… · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P9WGR1
- Elsewhere: RCSB PDB 5OIT · PDBe 5OIT · UniProt P9WGR1
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