MolNFT v1 · #168965 · protein

Apo KIF14[391-755] in complex with a microtubule

6WWI · Tubulin alpha-1B chain: “Apo KIF14[391-755] in complex with a microtubule”. Electron microscopy, 4 ligands (GTP, GDP, TA1), 17 pockets (best druggability 0.83). MolNFT v1 #168965 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6WWI
Type: protein
Length: 1,229 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, MG
Pockets: 17 · best druggability 0.83

Structure

electron microscopy · 3 distinct chains · 38% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tubulin alpha-1B chain	protein	441	41% helix, 12% strand	Q2XVP4
B	Tubulin beta-2B chain	protein	428	43% helix, 14% strand	A0A287AGU7
K	Kinesin-like protein KIF14	protein	360	29% helix, 19% 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
MG · Magnesium ion · metal · chains A, B

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

Pockets

17 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	292	0.83	0.94	48	GTP, MG
2	1194	0.80	0.81	86	empty
3	652	0.71	0.79	78	empty
4	330	0.64	0.80	35	empty
5	316	0.63	0.80	41	GDP

Interfaces

3 interfaces between chains.

A–B · 2047 Å² buried · 18 hydrogen bonds · protein-protein
A–K · 898 Å² buried · 5 hydrogen bonds · protein-protein
B–K · 638 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

6WWI · Apo KIF14[391-755] 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 6WWI · PDBe 6WWI · UniProt Q2XVP4 · UniProt A0A287AGU7 · UniProt L0N7N1

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