Structure of PDB 5tw7 Chain E Binding Site BS01

Receptor Information
>5tw7 Chain E (length=489) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDKILILDFGSQVTRLIARRVREAHVYCELHSFDMPLDEIKAFNPKGIIL
SGGPNSVYESDYQADTGIFDLGIPVLGICYGMQFMAHHLGGEVQPGNQRE
FGYAQVKTIDSGLTRGIQDDAPNTLDVWMSHGDKVSKLPDGFAVIGDTPS
CPIAMMENTEKQFYGIQFHPEVTHTKQGRALLNRFVLDICGAQPGWTMPN
YIEEAVAKIREQVGSDEVILGLSGGVDSSVAAALIHRAIGDQLTCVFVDH
GLLRLNEGKMVMDMFARNLGVKVIHVDAEGQFMAKLAGVTDPEKKRKIIG
AEFIEVFDAEEKKLTNAKWLAQGTIYPDVILKLLEPLRDLFKDEVRELGV
ALGLPREMVYRHPFPGPGLGVRILGEVKKEYADLLRQADDIFIQELRNTT
DENGTSWYDLTSQAFAVFLPVKSVGVMRTYDYVVALRAVITSDFMTAHWA
ELPYSLLGRVSNRIINEVKGINRVVYDVSGKPPATIEWE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5tw7 Chain E Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tw7 Crystal structure of a GMP synthase (glutamine-hydrolyzing) from Neisseria gonorrhoeae
Resolution2.35 Å
Binding residue
(original residue number in PDB)		I497 V500 I503
Binding residue
(residue number reindexed from 1)		I465 V468 I471
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G55 C81 Y82 H171 E173 D229 K371
Catalytic site (residue number reindexed from 1) G53 C79 Y80 H169 E171 D227 K342
Enzyme Commision number 6.3.5.2: GMP synthase (glutamine-hydrolyzing).
Gene Ontology
Molecular Function
GO:0003921 GMP synthase activity
GO:0003922 GMP synthase (glutamine-hydrolyzing) activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006177 GMP biosynthetic process
GO:0006541 glutamine metabolic process
GO:0046037 GMP metabolic process
Cellular Component
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:5tw7, PDBe:5tw7, PDBj:5tw7
PDBsum5tw7
PubMed
UniProtB4RJH7|GUAA_NEIG2 GMP synthase [glutamine-hydrolyzing] (Gene Name=guaA)

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