Structure of PDB 7tjc Chain A Binding Site BS01

Receptor Information
>7tjc Chain A (length=123) Species: 30538 (Vicugna pacos) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQLVESGGGLVQAGGSLRLSCAASGRSFSTYAMGWFRQAPGKEREFVAAI
SWSHGITYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAADSI
PYGDSRYRNPGYWGQGTQVTVSS
Ligand information
Ligand IDCLM
InChIInChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
InChIKeyWIIZWVCIJKGZOK-RKDXNWHRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
CACTVS 3.341OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
CACTVS 3.341OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO
FormulaC11 H12 Cl2 N2 O5
NameCHLORAMPHENICOL
ChEMBLCHEMBL130
DrugBankDB00446
ZINCZINC000000113382
PDB chain7tjc Chain A Residue 201 [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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PDB7tjc Structure and specificity of an anti-chloramphenicol single domain antibody for detection of amphenicol residues.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		A33 M34 G35 F37 S52 Y59 A97 A98 D99 D105 S106 R107 Y108 R109
Binding residue
(residue number reindexed from 1)		A32 M33 G34 F36 S51 Y58 A96 A97 D98 D104 S105 R106 Y107 R108
Annotation score3
External links