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Crystal structure of kirola (act D 11) in P6122 space group

Analyse Crystal structure of kirola (act D 11) in P6122 space group in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4IGW
Type: protein
Length: 295 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kirola
UniProt: P85524
Ligands: UNL, CL
Pockets: 6 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Kirola	protein	147	25% helix, 48% strand	P85524
B	Kirola	protein	148	24% helix, 47% strand	P85524

Ligands and binding sites

UNL · Unknown ligand · ion · 5 copies · chains A, B
CL · Chloride ion · ion · 2 copies · chains A, B
EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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

Pockets

6 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	122	0.82	0.98	18	UNL
2	113	0.80	0.97	18	UNL
3	374	0.66	0.80	63	empty
4	70	0.44	0.81	15	empty
5	62	0.43	0.82	13	empty

Interfaces

1 interface between chains.

A–B · 763 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

4IGW · Crystal structure of kirola (Act d 11) in P6122 space group · the same entry in another collection · chain A against A, TM-score 1.00
P85524 · AlphaFold monomer V2.0 prediction for kirola (P85524) · 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 P85524
Elsewhere: RCSB PDB 4IGW · PDBe 4IGW · UniProt P85524

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