MolNFT v1 · #24866 · protein

Crystal structure of PAE2754 from pyrobaculum aerophilum

1V8P · Hypothetical protein PAE2754: “Crystal structure of PAE2754 from pyrobaculum aerophilum”. X-ray diffraction, 1 ligand (CL), 15 pockets (best druggability 0.72). MolNFT v1 #24866 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 1V8P
Type: protein
Length: 1,602 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein PAE2754
UniProt: Q8ZUJ3
Ligands: CL
Pockets: 15 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 62% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E, H, I, J, K, L	Hypothetical protein PAE2754	protein	132	64% helix, 9% strand	Q8ZUJ3
B, D, G	Hypothetical protein PAE2754	protein	133	62% helix, 9% strand	Q8ZUJ3
C	Hypothetical protein PAE2754	protein	135	61% helix, 9% strand	Q8ZUJ3
F	Hypothetical protein PAE2754	protein	144	59% helix, 8% strand	Q8ZUJ3

Ligands and binding sites

CL · Chloride ion · ion · 6 copies · chains A, B, C, D, E, F, G, H, I, K, L, J

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

Pockets

15 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	416	0.72	0.83	51	CL
2	375	0.71	0.83	49	CL
3	378	0.71	0.83	48	CL
4	259	0.65	0.82	30	CL
5	210	0.64	0.83	31	CL

Interfaces

20 interfaces between chains.

K–L · 1530 Å² buried · 8 hydrogen bonds · protein-protein
C–D · 1512 Å² buried · 10 hydrogen bonds · protein-protein
G–H · 1507 Å² buried · 10 hydrogen bonds · protein-protein
E–F · 1506 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 1503 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

1V8P · Crystal structure of PAE2754 from Pyrobaculum aerophilum · the same entry in another collection · chain L against L, 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 Q8ZUJ3
Elsewhere: RCSB PDB 1V8P · PDBe 1V8P · UniProt Q8ZUJ3

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