MolNFT v1 · #38536 · protein

RESA E80Q

2H1B · Thiol-disulfide oxidoreductase resa: “RESA E80Q”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #38536 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2H1B
Type: protein
Length: 550 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thiol-disulfide oxidoreductase resa
UniProt: P35160
Pockets: 5 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Thiol-disulfide oxidoreductase resa	protein	138	36% helix, 29% strand	P35160
C, D	Thiol-disulfide oxidoreductase resa	protein	137	36% helix, 28% strand	P35160

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 7 copies · chains A, B, C, D
ACT · Acetate ion · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	820	0.71	0.77	55	empty
2	189	0.45	0.74	28	empty
3	139	0.41	0.75	26	empty
4	85	0.33	0.74	21	empty
5	65	0.32	0.75	15	empty

Interfaces

5 interfaces between chains.

A–D · 524 Å² buried · 10 hydrogen bonds · protein-protein
B–D · 432 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 402 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 260 Å² buried · 2 hydrogen bonds · protein-protein
A–B · 42 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

2H1B · ResA E80Q · the same entry in another collection · chain A against A, TM-score 1.00
P35160 · AlphaFold monomer V2.0 prediction for thiol-disulfide oxidoreductase resa (P35160) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P35160
Elsewhere: RCSB PDB 2H1B · PDBe 2H1B · UniProt P35160

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