MolNFT v1 · #40518 · protein
Reinterpretation of reduced form of formate dehydrogenase H from E. COLI
2IV2: “Reinterpretation of reduced form of formate dehydrogenase H from E. COLI”. X-ray diffraction, 5 ligands (SF4, 2MD, MGD), 6 pockets (best druggability 0.87). MolNFT v1 #40518 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2IV2
- Type
- protein
- Length
- 697 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formate dehydrogenase H
- EC
- 1.17.1.9, 1.17.99.7
- UniProt
- P07658
- Ligands
- SF4, 2MD, MGD, MO, UNX
- Pockets
- 6 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Formate dehydrogenase H (EC 1.17.1.9, 1.17.99.7) | protein | 697 | 36% helix, 19% strand | P07658 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · chains X
- 2MD · Guanylate-O'-phosphoric acid mono-(2-amino-5,6-dimercapto-4-oxo-3,5,6,7,8A,9,10,10A-octahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester · ligand · chains X
- MGD · 2-amino-5,6-dimercapto-7-methyl-3,7,8A,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide · ligand · chains X
- MO · Molybdenum atom · metal · chains X
- UNX · Unknown atom or ion · ion · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 931 | 0.87 | 0.88 | 111 | 2MD, MGD, MO, UNX |
| 2 | 125 | 0.58 | 0.84 | 21 | empty |
| 3 | 181 | 0.47 | 0.75 | 34 | empty |
| 4 | 95 | 0.35 | 0.75 | 18 | empty |
| 5 | 53 | 0.30 | 0.76 | 19 | empty |
Compared structures
- 2IV2 · Reinterpretation of reduced form of formate dehydrogenase H from E. coli · the same entry in another collection · chain X against X, TM-score 1.00
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 P07658
- Elsewhere: RCSB PDB 2IV2 · PDBe 2IV2 · UniProt P07658
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