Structure of PDB 9ca1 Chain A Binding Site BS03

Receptor Information

>9ca1 Chain A (length=612) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VMKTVLMVAEMPSLAQSIAKILSRGSLSSHKGLNGACSVHEYTGTFAGQP
VRFKMTSVCGHVMTLDFLGKYNKWDKVDPAELFSQAPTEKKEANPKLNMV
KFLQVEGRGCDYIVLWLDCDKEGENICFEVLDAVLPVMNKAHGGEKTVFR
ARFSSITDTDICNAMACLGEPDHNEALSVDARQELDLRIGCAFTRFQTKY
FQGKYGDLDSSLISFGPCQTPTLGFCVERHDKIQSFKPETYWVLQAKVNT
DKDRSLLLDWDRVRVFDREIAQMFLNMTKLEKEAQVEATSRKEKAKQRPL
ALNTVEMLRVASSSLGMGPQHAMQTAERLYTQGYISYPRTETTHYPENFD
LKGSLRQQANHPYWADTVKRLLAEGINRPRKGHDAGDHPPITPMKSATEA
ELGGDAWRLYEYITRHFIATVSHDCKYLQSTISFRIGPELFTCSGKTVLS
PGFTEVMPWQSVPLEESLPTCQRGDAFPVGEVKMLEKQTNPPDYLTEAEL
ITLMEKHGIGTDASIPVHINNICQRNYVTVESGRRLKPTNLGIVLVHGYY
KIDAELVLPTIRSAVEKQLNLIAQGKADYRQVLGHTLDVFKRKFHYFVDS
IAGMDELMEVSF

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mn+2]
CACTVS 3.341	[Mn++]

Formula

Name

MANGANESE (II) ION

PDB chain

9ca1 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	9ca1 Structural Insights into human Topoisomerase 3-beta DNA and RNA catalytic cycles and topo-gate dynamics
Resolution	3.26 Å
Binding residue (original residue number in PDB)	E9 D117 Y336
Binding residue (residue number reindexed from 1)	E10 D118 Y337
Annotation score	4

External links

PDB	RCSB:9ca1, PDBe:9ca1, PDBj:9ca1
PDBsum	9ca1
PubMed
UniProt	O95985\|TOP3B_HUMAN DNA topoisomerase 3-beta-1 (Gene Name=TOP3B)

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