MolNFT v1 · #47131 · protein

Crystal structure of the neisseria meningitidis minor type IV pilin, pilx, in space group P43

2OPE: “Crystal structure of the neisseria meningitidis minor type IV pilin, pilx, in space group P43”. X-ray diffraction, 1 pocket (best druggability 0.78). MolNFT v1 #47131 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2OPE
Type: protein
Length: 465 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pilx
Pockets: 1 · best druggability 0.78

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Pilx	protein	120	40% helix, 25% strand	—
C	Pilx	protein	111	43% helix, 23% strand	—
D	Pilx	protein	114	41% helix, 23% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1051	0.78	0.80	96	empty

Interfaces

5 interfaces between chains.

A–B · 505 Å² buried · 6 hydrogen bonds · protein-protein
A–D · 501 Å² buried · 7 hydrogen bonds · protein-protein
B–C · 482 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 196 Å² buried · 1 hydrogen bond · protein-protein
A–C · 192 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

2OPE · Crystal structure of the Neisseria meningitidis minor Type IV pilin, PilX, in space group… · 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 2OPE · PDBe 2OPE

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