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Crystal structure of in vitro folded chitoporin vhchip from vibrio harveyi (crystal form II)

Analyse Crystal structure of in vitro folded chitoporin vhchip from vibrio harveyi… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5MDP
Type: protein
Length: 1,023 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chitoporin
UniProt: L0RVU0
Pockets: 14 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 59% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Chitoporin	protein	341	6% helix, 59% strand	L0RVU0

Pockets

14 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	1055	0.72	0.76	107	empty
2	876	0.70	0.76	93	empty
3	620	0.67	0.77	57	empty
4	196	0.47	0.75	36	empty
5	168	0.44	0.74	24	empty

Interfaces

3 interfaces between chains.

A–B · 1659 Å² buried · 21 hydrogen bonds · protein-protein
A–C · 1638 Å² buried · 23 hydrogen bonds · protein-protein
B–C · 1636 Å² buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 27 modified (engineered).

Compared structures

5MDP · Crystal structure of in vitro folded Chitoporin VhChip from Vibrio harveyi (crystal form… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt L0RVU0
Elsewhere: RCSB PDB 5MDP · PDBe 5MDP · UniProt L0RVU0

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