Structure of PDB 7o7s Chain A Binding Site BS01

Receptor Information
>7o7s Chain A (length=1276) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPQYMVLVPSLLHTETTEKGCVLLSYLNETVTVSASLESVRGNRSLFTDL
EAENDVLHCVAFAVPKSSSNEEVMFLTVQVKGPTQEFKKRTTVMVKNEDS
LVFVQTDKSIYKPGQTVKFRVVSMDENFHPLNELIPLVYIQDPKGNRIAQ
WQSFQLEGGLKQFSFPLSSEPFQGSYKVVVQKKSGGRTEHPFTVEEFVLP
KFEVQVTVPKIITILEEEMNVSVCGLYTYGKPVPGHVTVSICRKYSDASD
CHGEDSQAFCEKFSGQLNSHGCFYQQVKTKVFQLKRKEYEMKLHTEAQIQ
EEGTVVELTGRQSSEITRTITKLSFVKVDSHFRQGIPFFGQVRLVDGKGV
PIPNKVIFIRGNEANYYSNATTDEHGLVQFSINTTNVMGTSLTVRVNYKD
RSPCYGYQWVSEEHEEAHHTAYLVFSPSKSFVHLEPMSHELPCGHTQTVQ
AHYILNGGTLLGLKKLSFYYLIMAKGGIVRTGTHGLLVKQEDMKGHFSIS
IPVKSDIAPVARLLIYAVLPTGDVIGDSAKYDVENCLANKVDLSFSPSQS
LPASHAHLRVTAAPQSVCALRAVDQSVLLMKPDAELSASSVYNLLPEKDL
TGFPGPLNDQDNEDCINRHNVYINGITYTPVSSTNEKDMYSFLEDMGLKA
FTNSKIRKPKMCPQLQQYTVRKYFPETWIWDLVVVNSAGVAEVGVTVPDT
ITEWKAGAFCLSEDAGLGISSTASLRAFQPFFVELTMPYSVIRGEAFTLK
ATVLNYLPKCIRVSVQLEASPAFLAVPVEKEQAPHCICANGRQTVSWAVT
PKSLGNVNFTVSAEALESQELCGTEVPSVPEHGRKDTVIKPLLVEPEGLE
KETTFNSLLCPSGGEVSEELSLKLPPNVVEESARASVSVLGDILGSAMQN
TQNLLQMPYGCGEQNMVLFAPNIYVLDYLNETQQLTPEIKSKAIGYLNTG
YQRQLNYKHYDGSYSTFGERYGRNQGNTWLTAFVLKTFAQARAYIFIDEA
HITQALIWLSQRQKDNGCFRSSGSLLNNAIKGGVEDEVTLSAYITIALLE
IPLTVTHPVVRNALFCLESAWKTAQEGDHGSHVYTKALLAYAFALAGNQD
KRKEVLKSLNEEAVKKDNSVHWERPQKPKAPVGHFYEPQAPSAEVEMTSY
VLLAYLTAQPAPTSEDLTSATNIVKWITKQQNAQGGFSSTQDTVVALHAL
SKYGAATFTRTGKAAQVTIQSSGTFSSKFQVDNNNRLLLQQVSLPELPGE
YSMKVTGEGCVYLQTSLKYNILPEKE
Ligand information
Ligand IDBMA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain7o7s Chain F Residue 3 [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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PDB7o7s Cryo-EM structures show the mechanistic basis of pan-peptidase inhibition by human alpha 2 -macroglobulin.
Resolution4.3 Å
Binding residue
(original residue number in PDB)		R1271 T1272
Binding residue
(residue number reindexed from 1)		R1210 T1211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004866 endopeptidase inhibitor activity
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7o7s, PDBe:7o7s, PDBj:7o7s
PDBsum7o7s
PubMed35500114
UniProtP01023|A2MG_HUMAN Alpha-2-macroglobulin (Gene Name=A2M)

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