MolNFT v1 · #83431 · protein

Crystal structure of the loop 7 mutant porb from neisseria meningitidis serogroup B

3WI5 · Major outer membrane protein P.IB: “Crystal structure of the loop 7 mutant porb from neisseria meningitidis serogroup B”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #83431 on GenesisL1: 3D structure, binding…

PDB: 3WI5
Type: protein
Length: 312 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Major outer membrane protein P.IB
UniProt: P30690
Pockets: 3 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 63% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Major outer membrane protein P.IB	protein	312	2% helix, 63% strand	P30690

Ligands and binding sites

FLC · Citrate anion · additive · 2 copies · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	347	0.69	0.82	48	empty
2	494	0.58	0.74	54	FLC
3	65	0.31	0.75	20	empty

Compared structures

3WI5 · Crystal structure of the Loop 7 mutant PorB from Neisseria meningitidis serogroup B · the same entry in another collection · chain A against A, TM-score 1.00
P30690 · AlphaFold monomer V2.0 prediction for major outer membrane protein P.IB (P30690) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P30690
Elsewhere: RCSB PDB 3WI5 · PDBe 3WI5 · UniProt P30690

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