Structure of PDB 3uu0 Chain A Binding Site BS01

Receptor Information
>3uu0 Chain A (length=401) Species: 86665 (Halalkalibacterium halodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSQFERAKIEYGQWGIDVEEALERLKQVPISIHCWQGDDVGGFELDYPGK
ATTPEELRMDLEKALSLIPGKHRVNLHAIYAETDGKVVERDQLEPRHFEK
WVRWAKRHGLGLDFNPTLFSHEKAKDGLTLAHPDQAIRQFWIDHCIASRK
IGEYFGKELETPCLTNIWIPDGYKDTPSDRLTPRKRLKESLDQIFAAEIN
EAYNLDAVESKLFGIGSESYVVGSHEFYLSYALKNDKLCLLDTGHYHPTE
TVSNKISAMLLFHDKLALHVSRPVRWDSDHVVTFDDELREIALEIVRNDA
LDRVLIGLDFFDASINRIAAWTIGTRNVIKALLFAMLIPHKQLKEWQETG
DYTRRLAVLEEFKTYPLGAIWNEYCERMNVPIKEEWLKEIAIYEKEVLLQ
R
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3uu0 Chain A Residue 419 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uu0 Structure-based studies on the metal binding of two-metal-dependent sugar isomerases.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E225 D258 H285 D325
Binding residue
(residue number reindexed from 1)		E209 D242 H269 D309
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W184 E225 K227 D258 H261 H285 D293 D295 D325
Catalytic site (residue number reindexed from 1) W168 E209 K211 D242 H245 H269 D277 D279 D309
Enzyme Commision number 5.3.1.14: L-rhamnose isomerase.
Gene Ontology
Molecular Function
GO:0008740 L-rhamnose isomerase activity
GO:0016853 isomerase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0019299 rhamnose metabolic process
GO:0019301 rhamnose catabolic process
GO:0019324 L-lyxose metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3uu0, PDBe:3uu0, PDBj:3uu0
PDBsum3uu0
PubMed24925069
UniProtQ9KCL9|RHAA_HALH5 L-rhamnose isomerase (Gene Name=rhaA)

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