BioLiP

Receptor Information

>6hxb Chain A (length=968) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ENAHTKTVEEVLGHFGVNESTGLSLEQVKKLKERWGSNELELVIEQFEDL
LVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILVANAIVGVWQER
NAENAIEALKEYEPEMGKVYRQDSVQRIKAKDIVPGDIVEIAVGDKVPAD
IRLTSIKSTTLRVDQSILTGESVSVIKHTDPVPDPRAVNQDKKNMLFSGT
NIAAGKAMGVVVATGVNTEIGKIRDEERTPLQQKLDEFGEQLSKVISLIC
IAVWIINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTC
LALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCRMFI
LDKVEGDTCSLNEFTITGSTYAPIGEVHKDDKPVKCHQYDGLVELATICA
LCNDSDYNEAKGVYEKVGEATETALTCLVEKMNVFDTELKGLSKIERANA
CNSVIKQLMKKEFTLEFSRDRKSMSVYCTPNKPKMFVKGAPEGVIDRCTH
IRVGSTKVPMTPGVKQKIMSVIREWGSGSDTLRCLALATHDNPMRREEMN
LEDSANFIKYETNLTFVGCVGMLDPPRIEVASSVKLCRQAGIRVIMITGD
NKGTAVAICRRIGIFGQDEDVTSKAFTGREFDELNPSAQREACLNARCFA
RVEPSHKSKIVEFLQSFDEITAMTGDGVNDAPALKKSEIGIAMGSGTAVA
KTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFL
TAALGFPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMNKPPRNPKEP
LISGWLFFRYLAIGCYVGAATVGAAAWWFIAADGGPRVTFYQLSHFLQCK
EDNPDFEGVDCAVFESPYPMTMALSVLVTIEMCNALNSLSENQSLLRMPP
WENIWLVGSICLSMSLHFLILYVEPLPLIFQITPLNLTQWLMVLKISLPV
ILMDETLKFVARNYLEPA

Ligand ID

ACP

InChI

InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

InChIKey

UFZTZBNSLXELAL-IOSLPCCCSA-N

SMILES

Software	SMILES
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O

Formula

C11 H18 N5 O12 P3

Name

PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER;
ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE

PDB chain

6hxb Chain A Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

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

PDB	6hxb Structures of the heart specific SERCA2a Ca 2+ -ATPase.
Resolution	4.0 Å
Binding residue (original residue number in PDB)	D351 T353 F487 R489 K492 K514 G515 R677 N705
Binding residue (residue number reindexed from 1)	D333 T335 F467 R469 K472 K488 G489 R651 N679
Annotation score	3

Enzyme Commision number

7.2.2.10: P-type Ca(2+) transporter.

	Molecular Function
GO:0000166	nucleotide binding
GO:0005215	transporter activity
GO:0005388	P-type calcium transporter activity
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0016887	ATP hydrolysis activity
GO:0046872	metal ion binding
GO:0086039	P-type calcium transporter activity involved in regulation of cardiac muscle cell membrane potential

	Biological Process
GO:0000045	autophagosome assembly
GO:0006816	calcium ion transport
GO:0006874	intracellular calcium ion homeostasis
GO:0010882	regulation of cardiac muscle contraction by calcium ion signaling
GO:0016240	autophagosome membrane docking
GO:0070588	calcium ion transmembrane transport
GO:0086036	regulation of cardiac muscle cell membrane potential
GO:0140056	organelle localization by membrane tethering
GO:1990456	mitochondrion-endoplasmic reticulum membrane tethering

	Cellular Component
GO:0016020	membrane
GO:0016529	sarcoplasmic reticulum
GO:0033017	sarcoplasmic reticulum membrane

PDB	RCSB:6hxb, PDBe:6hxb, PDBj:6hxb
PDBsum	6hxb
PubMed	30777856
UniProt	P11607\|AT2A2_PIG Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (Gene Name=ATP2A2)

[Back to BioLiP]

Structure of PDB 6hxb Chain A Binding Site BS04