MolNFT v1 · #168966 · protein

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

6WWJ · Tubulin alpha-1B chain: “KIF14[391-755] - ADP in complex with a microtubule”. Electron microscopy, 5 ligands (GTP, GDP, TA1), 20 pockets (best druggability 0.83). MolNFT v1 #168966 on GenesisL1: 3D structure, binding sites and…

PDB: 6WWJ
Type: protein
Length: 1,230 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: 20 · best druggability 0.83

Structure

electron microscopy · 3 distinct chains · 36% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tubulin alpha-1B chain	protein	441	38% helix, 14% strand	Q2XVP4
B	Tubulin beta-2B chain	protein	428	43% helix, 16% strand	A0A287AGU7
K	Kinesin-like protein KIF14	protein	361	26% helix, 25% 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

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	266	0.83	0.94	42	GTP, MG
2	1024	0.80	0.82	81	empty
3	540	0.67	0.78	53	empty
4	58	0.65	0.94	23	empty
5	296	0.63	0.80	28	empty

Interfaces

3 interfaces between chains.

A–B · 1987 Å² buried · 22 hydrogen bonds · protein-protein
A–K · 922 Å² buried · 9 hydrogen bonds · protein-protein
B–K · 647 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

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

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