Structure of PDB 8orp Chain B Binding Site BS04

Receptor Information
>8orp Chain B (length=476) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFDTNYASGRSGMVHLFEWKWDDIAAECENFLGPNGYAGVQVSPVNENAV
KDSRPWWERYQPISYKLETRSGNEEQFASMVKRCNAVGVRTYVDVVFNHM
AADGGTYGTGGSTASPSSKSYPGVPYSSLDFNPTCAISNYNDANEVRNCE
LVGLRDLNQGNSYVQDKVVEFLDHLIDLGVAGFRVDAAKHMWPADLAVIY
GRLKNLNTDHGFASGSKAYIVQEVIDMGGEAISKSEYTGLGAITEFRHSD
SIGKVFRGKDQLQYLTNWGTAWGFAASDRSLVFVDNHDNQRGHGAGGADV
LTYKVPKQYKMASAFMLAHPFGTPRVMSSFSFTDTDQGPPTTDGHNIASP
IFNSDNSCSGGWVCEHRWRQIYNMVAFRNTVGSDEIQNWWDNGSNQISFS
RGSRGFVAFNNDNYDLNSSLQTGLPAGTYCDVISGSKSGSSCTGKTVTVG
SDGRASINIGSSEDDGVLAIHVNAKL
Ligand information
Ligand IDRY7
InChIInChI=1S/C13H25NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h4-21H,2-3H2,1H3/t4-,5-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1
InChIKeyPFUNPXBPUXETIR-KJEWDVBSSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
OpenEye OEToolkits 2.0.7CC1C(C(C(C(O1)O)O)O)NC2CC(C(C(C2O)O)O)CO
OpenEye OEToolkits 2.0.7C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO
CACTVS 3.385C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C[CH](CO)[CH](O)[CH](O)[CH]2O
ACDLabs 12.01C1(CC(C(C(C1O)O)O)CO)NC2C(C(C(O)OC2C)O)O
FormulaC13 H25 N O8
Name4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose
ChEMBL
DrugBank
ZINC
PDB chain8orp Chain F Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8orp Structural and Functional Characterization of Drosophila melanogaster alpha-Amylase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)
W57 Q61 V152
Binding residue
(residue number reindexed from 1)
W57 Q61 V152
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.1: alpha-amylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004556 alpha-amylase activity
GO:0043169 cation binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:8orp, PDBe:8orp, PDBj:8orp
PDBsum8orp
PubMed37513201
UniProtP08144|AMYA_DROME Alpha-amylase A (Gene Name=Amy-p)

[Back to BioLiP]