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Receptor Information

>1id8 Chain A (length=137) Species: 1553 (Clostridium tetanomorphum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MEKKTIVLGVIGSDCHAVGNKILDHSFTNAGFNVVNIGVLSSQEDFINAA
IETKADLICVSSLYGQGEIDCKGLREKCDEAGLKGIKLFVGGNIVVGKQN
WPDVEQRFKAMGFDRVYPPGTSPETTIADMKEVLGVE

Ligand ID

DBI

InChI

InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-12(18)13(11(5-17)22-14)23-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1

InChIKey

JIABVZWSYKDHDJ-SYQHCUMBSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=P(O)(O)OC3C(OC(n2cnc1cc(c(cc12)C)C)C3O)CO
OpenEye OEToolkits 1.5.0	Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O
OpenEye OEToolkits 1.5.0	Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O
CACTVS 3.341	Cc1cc2ncn([C@H]3O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@H]3O)c2cc1C
CACTVS 3.341	Cc1cc2ncn([CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O)c2cc1C

Formula

C14 H19 N2 O7 P

Name

PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER;
DIMETHYLBENZIMIDAZOLE-NUCLEOTIDE

PDB chain

1id8 Chain A Residue 139 [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	1id8 The B(12)-binding subunit of glutamate mutase from Clostridium tetanomorphum traps the nucleotide moiety of coenzyme B(12).
Resolution	N/A
Binding residue (original residue number in PDB)	S61 L63 G91 Y117 P119 T121
Binding residue (residue number reindexed from 1)	S61 L63 G91 Y117 P119 T121
Annotation score	1

Catalytic site (original residue number in PDB)	V10 D14 H16
Catalytic site (residue number reindexed from 1)	V10 D14 H16
Enzyme Commision number	5.4.99.1: methylaspartate mutase.

	Molecular Function
GO:0016853	isomerase activity
GO:0016866	intramolecular transferase activity
GO:0031419	cobalamin binding
GO:0046872	metal ion binding
GO:0050097	methylaspartate mutase activity

	Biological Process
GO:0019553	glutamate catabolic process via L-citramalate
GO:0019670	anaerobic glutamate catabolic process

PDB	RCSB:1id8, PDBe:1id8, PDBj:1id8
PDBsum	1id8
PubMed	11397096
UniProt	Q05488\|GMSS_CLOTT Glutamate mutase sigma subunit (Gene Name=glmS)

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Structure of PDB 1id8 Chain A Binding Site BS01