Structure of PDB 3bdk Chain A Binding Site BS01

Receptor Information
>3bdk Chain A (length=349) Species: 1307 (Streptococcus suis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMKMSFRWYGKKDPVTLEEIKAIPGMQGIVTAVYDVPVGQAWPLENILE
LKKMVEEAGLEITVIESIPVHEDIKQGKPNRDALIENYKTSIRNVGAAGI
PVVCYNFMPVFDWTRSDLHHPLPDGSTSLAFLKSDLAGVDPSKEEMKAII
ENYRQNISEEDLWANLEYFIKAILPTAEEAGVKMAIHPDDPPYGIFGLPR
IITGQEAVERFLNLYDSEHNGITMCVGSYASDPKNDVLAMTEYALKRNRI
NFMHTRNVTAGAWGFQETAHLSQAGDIDMNAVVKLLVDYDWQGSLRPDHG
RRIWGDQTKTPGYGLYDRALGATYFNGLYEANMRAAGKTPDFGIKAKTV
Ligand information
Ligand IDDNO
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1
InChIKeyGZCGUPFRVQAUEE-KVTDHHQDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)C=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O
ACDLabs 10.04O=CC(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
OpenEye OEToolkits 1.5.0C(C(C(C(C(C=O)O)O)O)O)O
FormulaC6 H12 O6
NameD-mannose
ChEMBLCHEMBL1232295
DrugBankDB12907
ZINCZINC000002556396
PDB chain3bdk Chain A Residue 387 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bdk Crystal structure of Streptococcus suis mannonate dehydratase complexed with substrate analogue
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R26 D130 W131 H331 Y345
Binding residue
(residue number reindexed from 1)		R8 D112 W113 H299 Y313
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) H219 C257 H286 D330 H331 Y345
Catalytic site (residue number reindexed from 1) H187 C225 H254 D298 H299 Y313
Enzyme Commision number 4.2.1.8: mannonate dehydratase.
Gene Ontology
Molecular Function
GO:0008198 ferrous iron binding
GO:0008927 mannonate dehydratase activity
GO:0016829 lyase activity
GO:0030145 manganese ion binding
Biological Process
GO:0006064 glucuronate catabolic process
GO:0042840 D-glucuronate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3bdk, PDBe:3bdk, PDBj:3bdk
PDBsum3bdk
PubMed
UniProtA4VVI4|UXUA_STRSY Mannonate dehydratase (Gene Name=uxuA)

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