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KIF14[391-772] - ADP in complex with a microtubule

Analyse KIF14[391-772] - ADP in complex with a microtubule in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6WWF
Type: protein
Length: 1,231 residues
Chains: 3
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tubulin alpha-1B chain; Tubulin beta-2B chain; Kinesin-like protein KIF14
UniProt: Q2XVP4, A0A287AGU7, L0N7N1
Ligands: GTP, GDP, TA1, ADP, MG
Pockets: 19 · best druggability 0.83

Structure

electron microscopy · 3 distinct chains · 38% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tubulin alpha-1B chain	protein	441	43% helix, 13% strand	Q2XVP4
B	Tubulin beta-2B chain	protein	431	43% helix, 15% strand	A0A287AGU7
K	Kinesin-like protein KIF14	protein	359	27% helix, 20% strand	L0N7N1

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · chains A, B
GDP · Guanosine-5'-diphosphate · ligand · chains B
TA1 · Taxol · ligand · chains B
ADP · Adenosine-5'-diphosphate · ligand · chains K
MG · Magnesium ion · metal · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	266	0.83	0.95	45	GTP, MG
2	1176	0.78	0.80	82	empty
3	854	0.71	0.76	72	empty
4	57	0.66	0.95	24	empty
5	347	0.62	0.78	43	empty

Interfaces

3 interfaces between chains.

A–B · 2020 Å² buried · 22 hydrogen bonds · protein-protein
A–K · 1014 Å² buried · 9 hydrogen bonds · protein-protein
B–K · 777 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

6WWF · KIF14[391-772] - ADP in complex with a microtubule · the same entry in another collection · chain A against A, TM-score 1.00
L0N7N1 · AlphaFold monomer V2.0 prediction for kinesin-like protein KIF14 (L0N7N1) · a predicted model of the same protein · chain K against A, TM-score 0.87

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 Q2XVP4
Every structure of UniProt A0A287AGU7
Every structure of UniProt L0N7N1
Elsewhere: RCSB PDB 6WWF · PDBe 6WWF · UniProt Q2XVP4 · UniProt A0A287AGU7 · UniProt L0N7N1

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