MolNFT v1 · #57754 · protein

Crystal structure of stable protein, CUTA1, from a psychrotrophic bacterium shewanella sp. SIB1

3AHP: “Crystal structure of stable protein, CUTA1, from a psychrotrophic bacterium shewanella sp. SIB1”. X-ray diffraction, 9 pockets (best druggability 0.83). MolNFT v1 #57754 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3AHP
Type: protein
Length: 640 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CUTA1
Pockets: 9 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	CUTA1	protein	106	33% helix, 38% strand	—
B, C, E, F	CUTA1	protein	107	35% helix, 40% strand	—

Pockets

9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	228	0.83	0.96	39	empty
2	235	0.83	0.95	37	empty
3	131	0.54	0.81	16	empty
4	128	0.53	0.81	17	empty
5	130	0.53	0.81	18	empty

Interfaces

8 interfaces between chains.

A–B · 1224 Å² buried · 17 hydrogen bonds · protein-protein
D–E · 1208 Å² buried · 17 hydrogen bonds · protein-protein
E–F · 1194 Å² buried · 13 hydrogen bonds · protein-protein
B–C · 1156 Å² buried · 17 hydrogen bonds · protein-protein
A–C · 1150 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

3AHP · Crystal structure of stable protein, CutA1, from a psychrotrophic bacterium Shewanella… · 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
Elsewhere: RCSB PDB 3AHP · PDBe 3AHP

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