Structure of PDB 4upl Chain A Binding Site BS01

Receptor Information
>4upl Chain A (length=555) Species: 246200 (Ruegeria pomeroyi DSS-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAVMNILFIMFDQLRWDYLSCYGHKTLNTPHIDRLAAKGVRFDRAYIQSP
ICGSSRMSTYTGRYVHSHGASWNGIPLKVGEMTMGDHLRAAGMGCWLVGK
THMRADEEGMARLGLEPDSLIGARVAECGFDVFERDDGMLPEGPDGYYDP
DGAKEYNKFLRAKGYESDNPWHDFANSGLDDEGNVQSGWFLKNATRPANI
AEEDSETPYLTSRAMEFIEQQTGPWCCHLSYIKPHWPYIVPEPYASMFGP
EHVQDVVRSDSERQNAHPLFKAFMDTKVGEAFSRQEVRDAVIPAYMGLIK
QADDQMGRLFKWLEDTGRMQDTMIVLTSDHGDFLGDHWMGEKTFFHDAST
RVPLIIYDPRPEADATRGSVCDALVESIDLAPTFVEAAGGKPAMHILEGE
SLIPILHGARDHTLRDHVICEYDFSASPIAHLNDISVRQAVMFMVADKNW
KLIHFEADPRPMLFDLKNDPQELVDLGGDPAHADVIAGMYDKLFRWTRRQ
SQRTTRSEEQLIAMRTKSRKRGIVLGIYDENETPLELTVKYRDRKARPYK
DYLKG
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4upl Chain A Residue 1553 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4upl Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily.
Resolution1.805 Å
Binding residue
(original residue number in PDB)		D9 C49 D326 H327
Binding residue
(residue number reindexed from 1)		D12 C52 D329 H330
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D9 Q10 C49 R53 K97 H99 G140 H232 D326 H327 K339
Catalytic site (residue number reindexed from 1) D12 Q13 C52 R56 K100 H102 G143 H235 D329 H330 K342
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008484 sulfuric ester hydrolase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:4upl, PDBe:4upl, PDBj:4upl
PDBsum4upl
PubMed30497259
UniProtQ5LMH0

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