MolNFT v1 · #86938 · protein

P4 protein from bacteriophage PHI12 Q278A mutant in complex with ampcpp

4BLS · NTPase P4: “P4 protein from bacteriophage PHI12 Q278A mutant in complex with ampcpp”. X-ray diffraction, 1 ligand (APC), 10 pockets (best druggability 0.78). MolNFT v1 #86938 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4BLS
Type: protein
Length: 907 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NTPase P4
UniProt: Q94M05
Ligands: APC
Pockets: 10 · best druggability 0.78

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NTPase P4	protein	302	32% helix, 29% strand	Q94M05
B	NTPase P4	protein	303	32% helix, 29% strand	Q94M05
C	NTPase P4	protein	302	32% helix, 28% strand	Q94M05

Ligands and binding sites

APC · Diphosphomethylphosphonic acid adenosyl ester · ligand · 3 copies · chains A, B, C

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

Pockets

10 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	676	0.78	0.83	66	empty
2	715	0.77	0.82	68	empty
3	400	0.77	0.86	45	APC
4	406	0.76	0.86	45	APC
5	371	0.69	0.82	39	empty

Interfaces

2 interfaces between chains.

B–C · 2027 Å² buried · 26 hydrogen bonds · protein-protein
A–B · 1997 Å² buried · 23 hydrogen bonds · protein-protein

Compared structures

4BLS · P4 PROTEIN FROM BACTERIOPHAGE PHI12 Q278A MUTANT IN COMPLEX WITH AMPcPP · the same entry in another collection · chain C against C, 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 Q94M05
Elsewhere: RCSB PDB 4BLS · PDBe 4BLS · UniProt Q94M05

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