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BioLiP

Structure of PDB 5j2u Chain C Binding Site BS02

Receptor Information

>5j2u Chain C (length=440) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFN
TFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAA
NNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFT
SLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDC
AFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNV
DLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPAN
QMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTG
FKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYA
KRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVDSV

Ligand information

Ligand ID

GTP

InChI

InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

InChIKey

XKMLYUALXHKNFT-UUOKFMHZSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370	NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6	c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O

Formula

C10 H16 N5 O14 P3

Name

GUANOSINE-5'-TRIPHOSPHATE

PDB chain

5j2u Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5j2u Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics.
Resolution	2.5 Å
Binding residue (original residue number in PDB)	Q11 A12 Q15 A99 N101 S140 G143 G144 T145 G146 V177 E183 N206 Y224 N228
Binding residue (residue number reindexed from 1)	Q11 A12 Q15 A99 N101 S140 G143 G144 T145 G146 V177 E183 N206 Y224 N228
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.6.5.-

Gene Ontology

	Molecular Function
GO:0003924	GTPase activity
GO:0005200	structural constituent of cytoskeleton
GO:0005525	GTP binding
GO:0016787	hydrolase activity
GO:0046872	metal ion binding

	Biological Process
GO:0000226	microtubule cytoskeleton organization
GO:0000278	mitotic cell cycle
GO:0007017	microtubule-based process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005856	cytoskeleton
GO:0005874	microtubule
GO:0015630	microtubule cytoskeleton

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:5j2u, PDBe:5j2u, PDBj:5j2u
PDBsum	5j2u
PubMed	27518442
UniProt	P81947\|TBA1B_BOVIN Tubulin alpha-1B chain

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