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Crystal structure of kirola (act D 11) - triclinic form

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

PDB: 4IGY
Type: protein
Length: 589 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kirola
UniProt: P85524
Ligands: UNL, CL
Pockets: 10 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 47% strand (DSSP).

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

Ligands and binding sites

UNL · Unknown ligand · ion · 10 copies · chains A, B, C, D
CL · Chloride ion · ion · chains B, C

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

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	135	0.82	0.98	19	UNL
2	125	0.82	0.98	18	UNL
3	117	0.81	0.98	17	UNL
4	119	0.80	0.97	18	UNL
5	337	0.66	0.81	63	empty

Interfaces

3 interfaces between chains.

C–D · 729 Å² buried · 15 hydrogen bonds · protein-protein
B–C · 413 Å² buried · 8 hydrogen bonds · protein-protein
A–B · 129 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

4IGY · Crystal structure of kirola (Act d 11) - triclinic form · 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 B 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 4IGY · PDBe 4IGY · UniProt P85524

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