MolNFT v1 · #153041 · protein

Crystal structure of hypx from aquifex aeolicus, Q15A-R131A-S194A- Q195A-N306A-R542A variant

6J1H · Hydrogenase regulation hoxx: “Crystal structure of hypx from aquifex aeolicus, Q15A-R131A-S194A- Q195A-N306A-R542A variant”. X-ray diffraction, 15 pockets (best druggability 0.81). MolNFT v1 #153041 on GenesisL1: 3D structure…

PDB: 6J1H
Type: protein
Length: 1,126 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hydrogenase regulation hoxx
UniProt: O67224
Pockets: 15 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hydrogenase regulation hoxx	protein	564	40% helix, 22% strand	O67224
B	Hydrogenase regulation hoxx	protein	562	39% helix, 22% strand	O67224

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1152	0.81	0.82	104	empty
2	542	0.78	0.85	58	empty
3	222	0.68	0.85	34	empty
4	336	0.66	0.81	36	empty
5	392	0.60	0.76	34	empty

Interfaces

1 interface between chains.

A–B · 522 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

6J1H · Crystal structure of HypX from Aquifex aeolicus, Q15A-R131A-S194A-Q195A-N306A-R542A… · the same entry in another collection · chain A against A, 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 O67224
Elsewhere: RCSB PDB 6J1H · PDBe 6J1H · UniProt O67224

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