MolNFT v1 · #124375 · protein
Inorganic pyrophosphatase from mycobacterium tuberculosis in complex with inhibitor 6 and inorganic pyrophosphate
5KDF: “Inorganic pyrophosphatase from mycobacterium tuberculosis in complex with inhibitor 6 and inorganic…”. X-ray diffraction, 3 ligands (6RU, POP, CA). MolNFT v1 #124375 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5KDF
- Type
- protein
- Length
- 161 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P9WI55
- Ligands
- 6RU, POP, CA
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 161 | — | P9WI55 |
Ligands and binding sites
- 6RU · ~{N}2,~{N}2,~{N}4,~{N}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine · ligand · chains A
- POP · Pyrophosphate 2- · ligand · chains A
- CA · Calcium ion · metal · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5KDF · Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 6 and… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WI55 · AlphaFold monomer V2.0 prediction for inorganic pyrophosphatase (P9WI55) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P9WI55
- Elsewhere: RCSB PDB 5KDF · PDBe 5KDF · UniProt P9WI55
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