Structure of PDB 1i9c Chain D Binding Site BS03

Receptor Information
>1i9c Chain D (length=483) Species: 1494 (Clostridium cochlearium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELKNKKWTDEEFHKQREEVLQQWPTGKEVDLQEAVDYLKKIPAEKNFAE
KLVLAKKKGITMAQPRAGVALLDEHIELLRYLQDEGGADFLPSTIDAYTR
QNRYDECENGIKESEKAGRSLLNGFPGVNFGVKGCRKVLEAVNLPLQARH
GTPDSRLLAEIIHAGGWTSNEGGGISYNVPYAKNVTIEKSLLDWQYCDRL
VGFYEEQGVHINREPFGPLTGTLVPPSMSNAVGITEALLAAEQGVKNITV
GYGECGNMIQDIAALRCLEEQTNEYLKAYGYNDVFVTTVFHQWMGGFPQD
ESKAFGVIVTATTIAALAGATKVIVKTPHEAIGIPTKEANAAGIKATKMA
LNMLEGQRMPMSKELETEMAVIKAETKCILDKMFELGKGDLAIGTVKAFE
TGVMDIPFGPSKYNAGKMMPVRDNLGCVRYLEFGNVPFTEEIKNYNRERL
QERAKFEGRDVSFQMVIDDIFAVGKGRLIGRPE
Ligand information
Ligand ID2AS
InChIInChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1
InChIKeyLXRUAYBIUSUULX-HRFVKAFMSA-N
SMILES
SoftwareSMILES
CACTVS 3.352C[CH]([C]O)[CH](N)[C](O)(=O)=O
CACTVS 3.352C[C@H]([C]O)[C@H](N)[C](O)(=O)=O
OpenEye OEToolkits 1.7.0C[C@H]([C]O)[C@@H](C(=O)(=O)O)N
ACDLabs 10.04O=C(O)C(C)C(N)C(=O)O
OpenEye OEToolkits 1.7.0CC([C]O)C(C(=O)(=O)O)N
FormulaC5 H9 N O4
Name(2S,3S)-3-methyl-aspartic acid
ChEMBLCHEMBL76739
DrugBankDB04538
ZINCZINC000000901781
PDB chain1i9c Chain D Residue 1308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1i9c Radical Shuttling in a Protein: Ribose Pseudorotation Controls Alkyl-Radical Transfer in the Coenzyme B(12) Dependent Enzyme Glutamate Mutase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R66 R100 R149 H150 E171 Y177 Y181 F216
Binding residue
(residue number reindexed from 1)		R66 R100 R149 H150 E171 Y177 Y181 F216
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R100 E171
Catalytic site (residue number reindexed from 1) R100 E171
Enzyme Commision number 5.4.99.1: methylaspartate mutase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0016853 isomerase activity
GO:0016866 intramolecular transferase activity
GO:0031419 cobalamin binding
GO:0050097 methylaspartate mutase activity
Biological Process
GO:0019553 glutamate catabolic process via L-citramalate
GO:0019670 anaerobic glutamate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1i9c, PDBe:1i9c, PDBj:1i9c
PDBsum1i9c
PubMed11592143
UniProtP80077|GLME_CLOCO Glutamate mutase epsilon subunit (Gene Name=glmE)

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