MolNFT v1 · #107689 · protein

Crystal structure of the pyocin AP41 DNase-immunity complex

4UHP · Large component of pyocin AP41: “Crystal structure of the pyocin AP41 DNase-immunity complex”. X-ray diffraction, 10 pockets (best druggability 0.73). MolNFT v1 #107689 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4UHP
Type: protein
Length: 888 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Large component of pyocin AP41; Bacteriocin immunity protein
UniProt: Q51502, Q51503
Pockets: 10 · best druggability 0.73

Structure

x-ray diffraction · 8 distinct chains · 48% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Large component of pyocin AP41	protein	135	43% helix, 16% strand	Q51502
B	Bacteriocin immunity protein	protein	90	57% helix, 2% strand	Q51503
C	Large component of pyocin AP41	protein	128	41% helix, 17% strand	Q51502
D	Bacteriocin immunity protein	protein	87	59% helix, 2% strand	Q51503
E	Large component of pyocin AP41	protein	132	42% helix, 17% strand	Q51502
F	Bacteriocin immunity protein	protein	94	57% helix, 2% strand	Q51503
G	Large component of pyocin AP41	protein	130	44% helix, 17% strand	Q51502
H	Bacteriocin immunity protein	protein	92	55% helix, 2% strand	Q51503

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	683	0.73	0.79	58	empty
2	461	0.71	0.81	37	empty
3	389	0.61	0.77	54	empty
4	63	0.38	0.79	16	empty
5	73	0.37	0.77	19	empty

Interfaces

11 interfaces between chains.

C–D · 920 Å² buried · 25 hydrogen bonds · protein-protein
A–B · 915 Å² buried · 23 hydrogen bonds · protein-protein
E–F · 902 Å² buried · 23 hydrogen bonds · protein-protein
G–H · 897 Å² buried · 22 hydrogen bonds · protein-protein
A–H · 352 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4UHP · Crystal structure of the pyocin AP41 DNase-Immunity complex · the same entry in another collection · chain B against B, 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 Q51502
Every structure of UniProt Q51503
Elsewhere: RCSB PDB 4UHP · PDBe 4UHP · UniProt Q51502 · UniProt Q51503

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