MolNFT v1 · #9793 · protein

Crystal sturcuture of fdx

1I7H · Ferredoxin: “Crystal sturcuture of fdx”. X-ray diffraction, 1 ligand (FES), 4 pockets (best druggability 0.45). MolNFT v1 #9793 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1I7H
Type: protein
Length: 326 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ferredoxin
UniProt: P0A9R4
Ligands: FES
Pockets: 4 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 16% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ferredoxin	protein	109	16% helix, 23% strand	P0A9R4
C	Ferredoxin	protein	108	16% helix, 23% strand	P0A9R4

Ligands and binding sites

FES · Fe2/s2 (inorganic) cluster · ligand · 3 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	142	0.45	0.77	30	empty
2	66	0.30	0.74	17	empty
3	62	0.30	0.74	15	empty
4	52	0.27	0.74	14	empty

Interfaces

2 interfaces between chains.

A–C · 385 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 380 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

1I7H · Crystal sturcuture of fdx · the same entry in another collection · chain A against A, TM-score 1.00
P0A9R4 · AlphaFold monomer V2.0 prediction for 2FE-2S ferredoxin (P0A9R4) · a predicted model of the same protein · chain C 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 P0A9R4
Elsewhere: RCSB PDB 1I7H · PDBe 1I7H · UniProt P0A9R4

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