Structure of PDB 7bao Chain A Binding Site BS01

Receptor Information
>7bao Chain A (length=1904) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
METACGDSKDNDGDGLVDCMDPDCCLQPLCHINPLCLGSPNPLDIIQETQ
VPVSQQNLHSFYDRIKFLVGRDSTHIIPGENPFDGGHACVIRGQVMTSDG
TPLVGVNISFVNNPLFGYTISRQDGSFDLVTNGGISIILRFERAPFITQE
HTLWLPWDRFFVMETIIMRHEENEIPSCDLSNFARPNPVVSPSPLTSFAS
SCAEKGPIVPEIQALQEEISISGCKMRLSYLSSRTPGYKSVLRISLTHPT
IPFNLMKVHLMVAVEGRLFRKWFAAAPDLSYYFIWDKTDVYNQKVFGLSE
AFVSVGYEYESCPDLILWEKRTTVLQGYEIDASKLGGWSLDKHHALNIQS
GILHKGNGENQFVSQQPPVIGSIMGNGRRRSISCPSCNGLADGNKLLAPV
ALTCGSDGSLYVGDFNYIRRIFPSGNVTNILELRNKDFRHSHSPAHKYYL
ATDPMSGAVFLSDSNSRRVFKIKSTVVVKDLVKNSEVVAGTGDQCLRCGD
GGKATEATLTNPRGITVDKFGLIYFVDGTMIRRIDQNGIISTLLGSLSCD
SVMDISQVHLEWPTDLAINPMDNSLYVLDNNVVLQISENHQVRIVAGRPM
HCLLSKVAIHATLESATALAVSHNGVLYIAETDEKKINRIRQVTTSGEIS
LVAGAPSGCDCKNDANCDCFSGDDGYAKDAKLNTPSSLAVCADGELYVAD
LGNIRIRFIRKNKPFLNTQNMYELSSPIDQELYLFDTTGKHLYTQSLPTG
DYLYNFTYTGDGDITLITDNNGNMVNVRRDSTGMPLWLVVPDGQVYWVTM
GTNSALKSVTTQGHELAMMTYHGNSGLLATKSNENGWTTFYEYDSFGRLT
NVTFPTGQVSSFRSDTDSSVHVQVETSSKDDVTITTNLSASGAFYTLLQD
QVRNSYYIGADGSLRLLLANGMEVALQTEPHLLAGTVNPTVGKRNVTLPI
DNGLNLVEWRQRKEQARGQVTVFGRRLRVHNRNLLSLDFDRVTRTEKIYD
DHRKFTLRILYDQAGRPSLWSPSSRLNGVNVTYSPGGYIAGIQRGIMSER
MEYDQAGRITSRIFADGKTWSYTYLEKSMVLLLHSQRQYIFEFDKNDRLS
SVTMPNVARQTLETIRSVGYYRNIYQPPEGNASVIQDFTEDGHLLHTFYL
GTGRRVIYKYGKLSKLAETLYDTTKVSFTYDETAGMLKTINLQNEGFTCT
IRYRQIGPLIDRQIFRFTEEGMVNARFDYNYDNSFRVTSMQAVINETPLP
IDLYRYDDVSGKTEQFGKFGVIYYDINQIITTAVMTHTKHFDAYGRMKEV
QYEIFRSLMYWMTVQYDNMGRVVKKELKVGPYANTTRYSYEYDADGQLQT
VSINDKPLWRYSYDLNGNLHLLSPGNSARLTPLRYDIRDRITRLGDVQYK
MDEDGFLRQRGGDIFEYNSAGLLIKAYNRAGSWSVRYRYDGLGRRVSSKS
SHSHHLQFFYADLTNPTKVTHLYNHSSSEITSLYYDLQGHLFAMELSSGD
EFYIACDNIGTPLAVFSGTGLMIKQILYTAYGEIYMDTNPNFQIIIGYHG
GLYDPLTKLVHMGRRDYDVLAGRWTSPDHELWKHLSSSNVMPFNLYMFKN
NNPISNSQDIKCFMTDVNSWLLTFGFQLHNVIPGYPKPDMDAMEPSYELI
HTQMKTQEWDNSKSILGVQCEVQKQLKAFVTLERFDQLYGSAPKTKKFAS
SGSVFGKGVKFALKDGRVTTDIICVANEDGRRVAAILNHAHYLENLHFTI
DGVDTHYFVKPGPSEGDLAILGLSGGRRTLENGVNVTVSQINTVLNGRTR
RYTDIQLQYGALCLNTRYGTTLDEEKARVLELARQRAVRQAWAREQQRLR
EGEEGLRAWTEGEKQQVLSTGRVQGYDGFFVISVEQYPELSDSANNIHFM
RQSE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7bao Chain A Residue 2808 [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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PDB7bao Teneurin4 dimer structures reveal a calcium-stabilized compact conformation supporting homomeric trans-interactions.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E835 A837 D840 K842 N844 D851
Binding residue
(residue number reindexed from 1)		E2 A4 D7 K9 N11 D18
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7bao, PDBe:7bao, PDBj:7bao
PDBsum7bao
PubMed35099835
UniProtQ6N022|TEN4_HUMAN Teneurin-4 (Gene Name=TENM4)

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