Structure of PDB 6j66 Chain A Binding Site BS01

Receptor Information
>6j66 Chain A (length=475) Species: 1540143 (Vibrio sp. FC509) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKPNLLIVFPDEMRAHTLGFMNQDRSYTPNLNKFAKESAVLKQAVSNFPL
TTPFRGMLMTGQYPYRNGIQGNSHTAMPGNFGGKDFGIELKKSTRTWSDI
LKDQGYSMGYIGKWHLDTPEAPFIPSYNNPMEGRYWNDWTAPDRRHGFDF
WYAYGTYDKHLTPIYWTNETPRDQPIKVNQWSPEHEADIAIKYLRNENGH
YRDRDKPFTLVVSMNPPHSPYDQVPQKYLDKFDGETSRSLNTRPNVQWDQ
EYLEGYGPEYFKEYMAMVHGVDDQFGRIIDELDRLGLTEDTLVVFFSDHG
CCMGSNGKPTKNVHYEEAMRIPMMFRWPGKLTPRQDDLLFSAPDIYPTLF
GLMGLEELIPDTVEGTNFAKTVSGIEGDTRPTSQLYTFMPYGGQSYGRRG
VRTDRYTLMIDRKIAKPLTFVLHDNQNDPYQMTNIANDNQELIAQLIEKE
LIPWLELTGDPWRPTEVPASVAKAY
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6j66 Chain A Residue 600 [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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PDB6j66 Comparative Study of Two Chondroitin Sulfate/Dermatan Sulfate 4-O-Sulfatases With High Identity.
Resolution1.953 Å
Binding residue
(original residue number in PDB)		D56 X96 D343 H344
Binding residue
(residue number reindexed from 1)		D11 X51 D298 H299
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D56 E57 T96 R100 K158 H160 H263 D343 H344 K356
Catalytic site (residue number reindexed from 1) D11 E12 T51 R55 K113 H115 H218 D298 H299 K311
Enzyme Commision number 3.1.6.12: N-acetylgalactosamine-4-sulfatase.
External links