MolNFT v1 · #63701 · protein

Crystal structure of a putative oxidoreductase from bacteroides fragilis nctc 9343

3FHL: “Crystal structure of a putative oxidoreductase from bacteroides fragilis nctc 9343”. X-ray diffraction, 1 ligand (MG), 13 pockets (best druggability 0.72). MolNFT v1 #63701 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3FHL
Type: protein
Length: 1,319 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative oxidoreductase
UniProt: Q5LCX7
Ligands: MG
Pockets: 13 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 34% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative oxidoreductase	protein	322	35% helix, 28% strand	Q5LCX7
B	Putative oxidoreductase	protein	321	34% helix, 27% strand	Q5LCX7
C, D	Putative oxidoreductase	protein	338	34% helix, 26% strand	Q5LCX7

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, D
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	159	0.72	0.90	38	empty
2	187	0.67	0.86	47	empty
3	263	0.55	0.77	31	empty
4	245	0.55	0.77	32	empty
5	213	0.48	0.74	25	empty

Interfaces

3 interfaces between chains.

B–D · 1838 Å² buried · 41 hydrogen bonds · protein-protein
A–C · 1836 Å² buried · 38 hydrogen bonds · protein-protein
B–C · 609 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3FHL · Crystal structure of a putative oxidoreductase from bacteroides fragilis nctc 9343 · the same entry in another collection · chain D against D, 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 Q5LCX7
Elsewhere: RCSB PDB 3FHL · PDBe 3FHL · UniProt Q5LCX7

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