Structure of PDB 4gme Chain C Binding Site BS02

Receptor Information
>4gme Chain C (length=403) Species: 190650 (Caulobacter vibrioides CB15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKIIDAKVIVTCPGRNFVTLKITTEDGITGVGDATLNGRELSVVSFLQD
HMVPSLIGRDAHQIEDIWQFFYRGSYWRGGPVAMTALAAVDMALWDIKGK
VAGLPVYQLLGGACRTGVTVYGHANGETIEDTIAEAVKYKAMGYKAIRLQ
TGVPGLASTYGVSKDKMFYEPADNDLPTENIWSTAKYLNSVPKLFERARE
VLGWDVHLLHDVHHRLTPIEAARLGKDLEPYRLFWLEDSVPAENQAGFRL
IRQHTTTPLAVGEIFAHVWDAKQLIEEQLIDYLRATVLHAGGITNLKKIA
AFADLHHVKTGCHGATDLSPVTMAAALHFDMSITNFGLQEYMRHTPETDA
VFPHAYTFSDGMLHPGDKPGLGVDIDEDLAAKHPYKRAYLPVNRLEDGTM
FNW
Ligand information
Ligand IDCS2
InChIInChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5+/m1/s1
InChIKeyRGHNJXZEOKUKBD-MBMOQRBOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(C(C(C(=O)O)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O
ACDLabs 10.04O=C(O)C(O)C(O)C(O)C(O)CO
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
FormulaC6 H12 O7
NameD-MANNONIC ACID;
D-MANNONATE
ChEMBL
DrugBank
ZINCZINC000002040884
PDB chain4gme Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4gme Crystal Structure of Mannonate Dehydratase from Caulobacter Crescentus Cb15
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N61 Y183 D234 H236 E260 E286 H336 D340 E363 L413 W426
Binding residue
(residue number reindexed from 1)		N38 Y160 D211 H213 E237 E263 H313 D317 E340 L390 W403
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) L60 R63 D234 H236 E260 G285 E286 I287 T309 H336 A338 E363
Catalytic site (residue number reindexed from 1) L37 R40 D211 H213 E237 G262 E263 I264 T286 H313 A315 E340
Enzyme Commision number 4.2.1.8: mannonate dehydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008927 mannonate dehydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009063 amino acid catabolic process
GO:0016052 carbohydrate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4gme, PDBe:4gme, PDBj:4gme
PDBsum4gme
PubMed
UniProtQ9AAR4|MAND2_CAUVC D-mannonate dehydratase CC0532 (Gene Name=CC_0532)

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