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BioLiP

Structure of PDB 1gqt Chain B Binding Site BS02

Receptor Information

>1gqt Chain B (length=307) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QNAGSLVVLGSINADHILNLQSFPTPGETVTGNHYQVAFGGKGANQAVAA
GRSGANIAFIACTGDDSIGESVRQQLATDNIDITPVSVIKGESTGVALIF
VNGEGENVIGIHAGANAALSPALVEAQRERIANASALLMQLESPLESVMA
AAKIAHQNKTIVALNPAPARELPDELLALVDIITPNETEAEKLTGIRVEN
DEDAAKAAQVLHEKGIRTVLITLGSRGVWASVNGEGQRVPGFRVQAVDTI
AAGDTFNGALITALLEEKPLPEAIRFAHAAAAIAVTRKGAQPSVPWREEI
DAFLDRQ

Ligand information

Ligand ID

ACP

InChI

InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

InChIKey

UFZTZBNSLXELAL-IOSLPCCCSA-N

SMILES

Software	SMILES
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O

Formula

C11 H18 N5 O12 P3

Name

PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER;
ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE

PDB chain

1gqt Chain B Residue 1310 [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	1gqt Activation of Ribokinase by Monovalent Cations.
Resolution	2.34 Å
Binding residue (original residue number in PDB)	N187 T223 G225 S226 A253 G254 H279 A282
Binding residue (residue number reindexed from 1)	N186 T222 G224 S225 A252 G253 H278 A281
Annotation score	3

Enzymatic activity

Catalytic site (original residue number in PDB)	A252 A253 G254 D255
Catalytic site (residue number reindexed from 1)	A251 A252 G253 D254
Enzyme Commision number	2.7.1.15: ribokinase.

Gene Ontology

	Molecular Function
GO:0004747	ribokinase activity
GO:0005524	ATP binding
GO:0016301	kinase activity
GO:0042803	protein homodimerization activity
GO:0046872	metal ion binding

	Biological Process
GO:0006014	D-ribose metabolic process
GO:0016310	phosphorylation
GO:0019303	D-ribose catabolic process
GO:0046835	carbohydrate phosphorylation

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:1gqt, PDBe:1gqt, PDBj:1gqt
PDBsum	1gqt
PubMed	11786021
UniProt	P0A9J6\|RBSK_ECOLI Ribokinase (Gene Name=rbsK)

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