Structure of PDB 4r8l Chain B Binding Site BS01

Receptor Information
>4r8l Chain B (length=355) Species: 10141 (Cavia porcellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERHLLLIYTGGTLGMQSKGGVLVPGPGLVTLLRTLPMFHDKEFAQAQGLP
DHALALPPASHGPRVLYTVLECQPLLDSSDMTIDDWIRIAKIIERHYEQY
QGFVVIHGTDTMASGASMLSFMLENLHKPVILTGAQVPIRVLWNDARENL
LGALLVAGQYIIPEVCLFMNSQLFRGNRVTKVDSQKFEAFCSPNLSPLAT
VGADVTIAWDLVRKVKWKDPLVVHSNMEHDVALLRLYPGIPASLVRAFLQ
PPLKGVVLETFGSGNGPSKPDLLQELRAAAQRGLIMVNCSQCLRGSVTPG
YATSLAGANIVSGLDMTSEAALAKLSYVLGLPELSLERRQELLAKDLRGE
MTLPT
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain4r8l Chain B Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4r8l Identification and Structural Analysis of an l-Asparaginase Enzyme from Guinea Pig with Putative Tumor Cell Killing Properties.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		T19 D84 S85 G115 T116 D117
Binding residue
(residue number reindexed from 1)		T12 D77 S78 G108 T109 D110
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T19 V28 T116 D117 K188
Catalytic site (residue number reindexed from 1) T12 V21 T109 D110 K181
Enzyme Commision number 3.5.1.1: asparaginase.
External links