Structure of PDB 1wz1 Chain H Binding Site BS01

Receptor Information
>1wz1 Chain H (length=123) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKLEESGGGLVQPGGSMKLSCATSGFTFSDAWMDWVRQSPEKGLEWVAE
IRNKANNHATYYAESVKGRFTISRDDSKRRVYLQMNTLRAEDTGIYYCTG
IYYHYPWFAYWGQGTLVTVSAEP
Ligand information
Ligand IDDNS
InChIInChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyVQPRNSWQIAHPMS-HNNXBMFYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.341CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCC[C@H](N)C(O)=O
CACTVS 3.341CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCC[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
FormulaC18 H25 N3 O4 S
NameN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-L-LYSINE;
DANSYLLYSINE;
DNS-LYSINE;
N(EPSILON)-DANSYL-L-LYSINE
ChEMBL
DrugBankDB04676
ZINCZINC000002545087
PDB chain1wz1 Chain H Residue 200 [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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PDB1wz1 Conformational dynamics of complementarity-determining region H3 of an anti-dansyl Fv fragment in the presence of its hapten
Resolution1.85 Å
Binding residue
(original residue number in PDB)		F27 T28 G100 I101 Y102 Y105 W107 A109 Y110
Binding residue
(residue number reindexed from 1)		F27 T28 G100 I101 Y102 Y105 W107 A109 Y110
Annotation score1
External links