3ZCW: Eg5 - New allosteric binding site

Eg5 - New allosteric binding site. Determined by X-ray diffraction at 1.69 Å resolution. Released 23 Jan 2013.

Method: X-ray diffraction
Resolution: 1.69 Å
Organism: HOMO SAPIENS
Chains: 1
Atoms: 3,129
Mol. weight: 40.52 kDa
Ligands: 4A2, MG, ADP
Released: 23 Jan 2013

Explore 3ZCW in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3ZCW contains 19 α-helices and 18 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 19 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	19-25	7	1
α-helix	26-28	3
α-helix	30-34	5
β-strand	39	1	2
β-strand	41-44	4	3
β-strand	49-53	5	3
β-strand	63-67	5	3
β-strand	70-72	3	1
α-helix	78-81	4
α-helix	82-86	5
α-helix	87-94	8
β-strand	98-105	8	1
α-helix	111-115	5
β-strand	117	1	4
α-helix	119-120	2
α-helix	121-123	3
β-strand	133	1	4
α-helix	135-148	14
β-strand	153-164	12	1
β-strand	167-170	4	1
β-strand	183-186	4	5
β-strand	194-197	4	5
β-strand	202-203	2	1
α-helix	207-223	17
α-helix	226-233	8
β-strand	236-248	13	1
β-strand	254-265	12	1
α-helix	266-268	3
α-helix	290-304	15
α-helix	311-313	3
α-helix	315-320	6
α-helix	321-323	3
β-strand	330-336	7	1
β-strand	339	1	2
α-helix	340-342	3
α-helix	343-357	15
α-helix	360-362	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Kinesin-like protein KIF11	A	protein	348	HOMO SAPIENS	P52732 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>3ZCW_1 KINESIN-LIKE PROTEIN KIF11 (chains A)
GKNIQVVVRCRPFNLAERKASAHSIVECDPVRKEVSVRTGGLADKSSRKTYTFDMVFGAS
TKQIDVYRSVVCPILDEVIMGYNCTIFAYGQTGTGKTFTMEGERSPNEEYTWEEDPLAGI
IPRTLHQIFEKLTDNGTEFSVKVSLLEIYNEELFDLLNPSSDVSERLQMFDDPRNKRGVI
IKGLEEITVHNKDEVYQILEKGAAKRTTAATLMNAYSSRSHSVFSVTIHMKETTIDGEEL
VKIGKLNLVDLAGSENIGRSGAVDKRAREAGNINQSLLTLGRVITALVERTPHVPYRESK
LTRILQDSLGGRTRTSIIATISPASLNLEETLSTLEYAHRAKNILNKP

Ligands and cofactors

ID	Name	Formula	Copies
4A2	(2E)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl…	C23 H17 F4 N3 O3	2
MG	Magnesium ion	Mg	1
ADP	Adenosine-5'-diphosphate	C10 H15 N5 O10 P2	1

Water and common crystallization additives (PEG, EPE) are not listed.

Primary citation

Structural Insights Into a Unique Inhibitor Binding Pocket in Kinesin Spindle Protein. Ulaganathan, V., Talapatra, S.K., Rath, O. et al. J Am Chem Soc (2013) 135:2263. DOI 10.1021/JA310377D · PubMed

Other PDB entries of the same protein (UniProt P52732 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6TLE 1.75 Å, Human Eg5 motor domain mutant E344K
1X88 1.8 Å, Human Eg5 motor domain bound to Mg-ADP and monastrol
6G6Y 1.8 Å, Eg5-inhibitor complex
2PG2 1.85 Å, Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 15
1Q0B 1.9 Å, Crystal structure of the motor protein KSP in complex with ADP and monastrol
2X7C 1.9 Å, Crystal structure of human kinesin Eg5 in complex with (S)-enastron
8YHH 1.95 Å, The Crystal Structure of Mitotic Kinesin Eg5 from Biortus
3K5E 1.97 Å, The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and…
2WOG 2.0 Å, Intermediate and final states of human kinesin Eg5 in complex with S-trityl-L-cysteine
3L9H 2.0 Å, X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex with the…
5JV3 2.01 Å, The neck-linker and alpha 7 helix of Homo sapiens Eg5 fused to EB1
1II6 2.1 Å, Crystal Structure of the Mitotic Kinesin Eg5 in Complex with Mg-ADP.

Browse structure collections

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