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Structure of PDB 2ggx Chain C Binding Site BS04

Receptor Information
>2ggx Chain C (length=151) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASLRQQVEALQGQVQHLQAAFSQYKKVELFPNGQSVGEKIFKTAGFVKPF
TEAQLLCTQAGGQLASPRSAAENAALQQLVVAKNEAAFLSMTDSKTEGKF
TYPTGESLVYSNWAPGEPNDDGGSEDCVEIFTNGKWNDRACGEKRLVVCE
F
Ligand information
Ligand IDNPJ
InChIInChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17+,18-/m1/s1
InChIKeyIAYJZWFYUSNIPN-LTHBGAKLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)Oc3ccc(cc3)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04[O-][N+](=O)c3ccc(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)cc3
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)Oc3ccc(cc3)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
FormulaC18 H25 N O13
Name4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE;
P-NITROPHENYL MALTOSIDE
ChEMBL
DrugBank
ZINCZINC000004282193
PDB chain2ggx Chain C Residue 700 [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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PDB2ggx Contributions of Phenylalanine 335 to Ligand Recognition by Human Surfactant Protein D: ring interactions with Sp-D ligands
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E321 N323 E329 F335 T336 N337 N341 R343
Binding residue
(residue number reindexed from 1)		E117 N119 E125 F131 T132 N133 N137 R139
Annotation score1
Binding affinityMOAD: ic50=0.32mM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2ggx, PDBe:2ggx, PDBj:2ggx
PDBsum2ggx
PubMed16636058
UniProtP35247|SFTPD_HUMAN Pulmonary surfactant-associated protein D (Gene Name=SFTPD)

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