Structure of PDB 3mk2 Chain A Binding Site BS01

Receptor Information
>3mk2 Chain A (length=481) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIPVEEENPDFWNREAAEALGAAKKLQPAQTAAKNLIIFLGDGMGVSTVT
AARILKGQKKDKLGPEIPLAMDRFPYVALSKTYNVDKHVPDSGATATAYL
CGVKGNFQTIGLSAAARFNQCNTTRGNEVISVMNRAKKAGKSVGVVTTTR
VQHASPAGTYAHTVNRNWYSDADVPASARQEGCQDIATQLISNMDIDVIL
GGGRKYMFRMGTPDPEYPDDYSQGGTRLDGKNLVQEWLAKRQGARYVWNR
TELMQASLDPSVTHLMGLFEPGDMKYEIHRDSTLDPSLMEMTEAALRLLS
RNPRGFFLFVEGGRIDHGHHESRAYRALTETIMFDDAIERAGQLTSEEDT
LSLVTADHSHVFSFGGYPLRGSSIFGLAPGKARDRKAYTVLLYGNGPGYV
LKDGARPDVTESESGSPEYRQQSAVPLDEETHAGEDVAVFARGPQAHLVH
GVQEQTFIAHVMAFAACLEPYTACDLAPPAG
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain3mk2 Chain A Residue 912 [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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PDB3mk2 Refined structures of placental alkaline phosphatase show a consistent pattern of interactions at the peripheral site.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		S92 F107 H320 H432
Binding residue
(residue number reindexed from 1)		S92 F107 H320 H432
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D42 S92 H153 S155 R166 E311 D316 H317 H320 D357 H358 H432
Catalytic site (residue number reindexed from 1) D42 S92 H153 S155 R166 E311 D316 H317 H320 D357 H358 H432
Enzyme Commision number 3.1.3.1: alkaline phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004035 alkaline phosphatase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0098552 side of membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3mk2, PDBe:3mk2, PDBj:3mk2
PDBsum3mk2
PubMed20693656
UniProtP05187|PPB1_HUMAN Alkaline phosphatase, placental type (Gene Name=ALPP)

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