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Intermediate and final states of human kinesin EG5 in complex with S- trityl-L-cysteine

Analyse Intermediate and final states of human kinesin EG5 in complex with S… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2WOG
Type: protein
Length: 991 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kinesin-like protein KIF11
UniProt: P52732
Ligands: ADP, ZZD, MG
Pockets: 10 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 34% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Kinesin-like protein KIF11	protein	333	34% helix, 29% strand	P52732
B	Kinesin-like protein KIF11	protein	328	34% helix, 28% strand	P52732
C	Kinesin-like protein KIF11	protein	330	35% helix, 31% strand	P52732

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
ZZD · S-trityl-L-cysteine · ligand · 3 copies · chains A, B, C
MG · Magnesium ion · metal · 3 copies · chains A, 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, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	816	0.72	0.77	63	empty
2	275	0.63	0.81	43	empty
3	152	0.61	0.84	18	ZZD
4	231	0.61	0.81	35	MG, ZZD
5	154	0.60	0.83	20	ZZD

Interfaces

2 interfaces between chains.

A–C · 476 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 318 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

2WOG · Intermediate and final states of human kinesin Eg5 in complex with S-trityl-L-cysteine · the same entry in another collection · chain B against B, TM-score 1.00
P52732 · AlphaFold monomer V2.0 prediction for kinesin-like protein KIF11 (P52732) · a predicted model of the same protein · chain B against A, TM-score 0.96

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 P52732
Elsewhere: RCSB PDB 2WOG · PDBe 2WOG · UniProt P52732

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