Structure of PDB 6i1t Chain A Binding Site BS02

Receptor Information
>6i1t Chain A (length=405) Species: 1344414 (Trichoderma reesei RUT C-30) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CTTNNLQVTYPAPVAADGWEYRLISTGLTAPRSIVFDSTGGLLVLDAGVG
VRRLTLQDNGGTCLSVTANATLIADTALNHGLAISADGGTIYASTVNDVY
AYTYNEQTNTVDPTTRRTVVTNMTNTDHVTRTLLLSSRLPNELLVSRGSA
ANEDPQARNVTSGHSQIRAYDISTLAATDPPFDFVAGTLIGWGLRDSVGV
GENPTNGGIWSVENSVDDLTREGVDVHQDNPGEELNFHGILGNTANQGGN
YGYPDCYALWSTAGFPDLGALEVGDQFASDNATAGVTDATCNTNFVDPRL
VFQAHVSPLDIKFNTNGTTAYITFHGSTDRTTPVGYSIVSVAFGLNGQPT
SPMDSTTAANNILTSPDLTQCPDDCFTPVGLTFDTIGRLFFSSDSTGEIF
VLQQS
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 chain6i1t Chain A Residue 511 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6i1t The functional and structural characterization ofTrichoderma reeseidehydrogenase belonging to the PQQ dependent family of Carbohydrate-Active Enzymes Family AA12.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S240 D242
Binding residue
(residue number reindexed from 1)		S215 D217
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links