MolNFT v1 · #86480 · protein

Crystal structure of hypothetical protein PA1648 from pseudomonas aeruginosa.

4B7X · Probable oxidoreductase: “Crystal structure of hypothetical protein PA1648 from pseudomonas aeruginosa.”. X-ray diffraction, 1 ligand (NAP), 20 pockets (best druggability 0.84). MolNFT v1 #86480 on GenesisL1: 3D structure, binding…

PDB: 4B7X
Type: protein
Length: 3,805 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable oxidoreductase
UniProt: Q9I377
Ligands: NAP
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 10 distinct chains · 32% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Probable oxidoreductase	protein	329	31% helix, 27% strand	Q9I377
B, E, F	Probable oxidoreductase	protein	331	31% helix, 27% strand	Q9I377
C	Probable oxidoreductase	protein	325	31% helix, 27% strand	Q9I377
D	Probable oxidoreductase	protein	327	31% helix, 27% strand	Q9I377
G	Probable oxidoreductase	protein	321	30% helix, 28% strand	Q9I377
H	Probable oxidoreductase	protein	327	31% helix, 27% strand	Q9I377
I	Probable oxidoreductase	protein	234	41% helix, 17% strand	Q9I377
J	Probable oxidoreductase	protein	327	31% helix, 26% strand	Q9I377
K	Probable oxidoreductase	protein	302	29% helix, 26% strand	Q9I377
L	Probable oxidoreductase	protein	320	32% helix, 28% strand	Q9I377

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	608	0.84	0.88	63	NAP
2	765	0.83	0.86	85	NAP
3	873	0.83	0.85	96	NAP
4	623	0.83	0.88	63	NAP
5	699	0.82	0.86	74	NAP

Interfaces

29 interfaces between chains.

E–F · 1359 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 1317 Å² buried · 11 hydrogen bonds · protein-protein
C–D · 1312 Å² buried · 12 hydrogen bonds · protein-protein
G–H · 1295 Å² buried · 13 hydrogen bonds · protein-protein
K–L · 1242 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

4B7X · Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa. · 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 Q9I377
Elsewhere: RCSB PDB 4B7X · PDBe 4B7X · UniProt Q9I377

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