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5A3S

Crystal structure of the (SR) Calcium ATPase E2-vanadate complex bound to thapsigargin and TNP-ATP

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0005215molecular_functiontransporter activity
A0005388molecular_functionP-type calcium transporter activity
A0005509molecular_functioncalcium ion binding
A0005524molecular_functionATP binding
A0006816biological_processcalcium ion transport
A0006874biological_processintracellular calcium ion homeostasis
A0016020cellular_componentmembrane
A0016529cellular_componentsarcoplasmic reticulum
A0016887molecular_functionATP hydrolysis activity
A0031448biological_processpositive regulation of fast-twitch skeletal muscle fiber contraction
A0033017cellular_componentsarcoplasmic reticulum membrane
A0046872molecular_functionmetal ion binding
A0070588biological_processcalcium ion transmembrane transport
A0106134biological_processpositive regulation of cardiac muscle cell contraction
A1901896biological_processpositive regulation of ATPase-coupled calcium transmembrane transporter activity
A1902082biological_processpositive regulation of calcium ion import into sarcoplasmic reticulum
A1990036biological_processcalcium ion import into sarcoplasmic reticulum
B0000166molecular_functionnucleotide binding
B0005215molecular_functiontransporter activity
B0005388molecular_functionP-type calcium transporter activity
B0005509molecular_functioncalcium ion binding
B0005524molecular_functionATP binding
B0006816biological_processcalcium ion transport
B0006874biological_processintracellular calcium ion homeostasis
B0016020cellular_componentmembrane
B0016529cellular_componentsarcoplasmic reticulum
B0016887molecular_functionATP hydrolysis activity
B0031448biological_processpositive regulation of fast-twitch skeletal muscle fiber contraction
B0033017cellular_componentsarcoplasmic reticulum membrane
B0046872molecular_functionmetal ion binding
B0070588biological_processcalcium ion transmembrane transport
B0106134biological_processpositive regulation of cardiac muscle cell contraction
B1901896biological_processpositive regulation of ATPase-coupled calcium transmembrane transporter activity
B1902082biological_processpositive regulation of calcium ion import into sarcoplasmic reticulum
B1990036biological_processcalcium ion import into sarcoplasmic reticulum
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE TG1 A 1000
ChainResidue
AGLN259
ATYR837
AMET838
ALEU260
AVAL263
AILE765
AVAL769
AVAL773
ALEU828
AILE829
APHE834

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE VN4 A 1001
ChainResidue
AGLY182
AASP351
ALYS352
ATHR353
ATHR625
AGLY626
ALYS684
AASN706
AMG1003
AHOH2001
AHOH2002
AHOH2003

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE 128 A 1002
ChainResidue
AVAL185
ASER186
AVAL187
ALYS205
AMET361
ATHR441
APHE487
AMET494
ALYS515
AGLY516
AALA517
AARG560
AASN628
AMG1004
AHOH2004

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 1003
ChainResidue
AASP351
ATHR353
AASP703
AVN41001
AHOH2001
AHOH2003

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 1004
ChainResidue
AASN628
A1281002
AHOH2004

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K A 1008
ChainResidue
AGLN244
ALEU711
ALYS712
AALA714
AGLU732

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1009
ChainResidue
AASN628
ALYS629
AARG678

site_idAC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE TG1 B 1000
ChainResidue
BLYS252
BPHE256
BGLN259
BLEU260
BVAL263
BVAL769
BVAL773
BLEU828
BILE829
BPHE834
BTYR837
BMET838

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE VN4 B 1001
ChainResidue
BTHR181
BGLY182
BASP351
BLYS352
BTHR353
BTHR625
BGLY626
BLYS684
BASN706
BMG1003
BHOH2001
BHOH2002
BHOH2003

site_idBC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 128 B 1002
ChainResidue
BVAL185
BSER186
BVAL187
BLYS205
BTHR441
BPHE487
BMET494
BLYS515
BGLY516
BARG560
BASN628
BARG678
BMG1004
BHOH2004

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 1003
ChainResidue
BHOH2003
BASP351
BTHR353
BASP703
BVN41001
BHOH2001

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG B 1004
ChainResidue
BASN628
B1281002
BHOH2004

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K B 1008
ChainResidue
BGLN244
BLEU711
BLYS712
BALA714
BGLU732

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 1009
ChainResidue
BLYS629
BARG678

Functional Information from PROSITE/UniProt
site_idPS00154
Number of Residues7
DetailsATPASE_E1_E2 E1-E2 ATPases phosphorylation site. DKTGTLT
ChainResidueDetails
AASP351-THR357

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1326
DetailsTOPO_DOM: Cytoplasmic => ECO:0000269|PubMed:10864315
ChainResidueDetails
AMET1-SER48
BGLU918-ASN930
AASN111-LEU253
AVAL314-MET757
APHE809-LEU828
AGLU918-ASN930
BMET1-SER48
BASN111-LEU253
BVAL314-MET757
BPHE809-LEU828

site_idSWS_FT_FI2
Number of Residues40
DetailsTRANSMEM: Helical; Name=1 => ECO:0000269|PubMed:10864315
ChainResidueDetails
ALEU49-ALA69
BLEU49-ALA69

site_idSWS_FT_FI3
Number of Residues216
DetailsTOPO_DOM: Lumenal => ECO:0000269|PubMed:10864315
ChainResidueDetails
ACYS70-VAL89
BVAL950-LEU964
AILE274-TYR295
ATHR778-LEU787
AALA852-MET897
AVAL950-LEU964
BCYS70-VAL89
BILE274-TYR295
BTHR778-LEU787
BALA852-MET897

site_idSWS_FT_FI4
Number of Residues40
DetailsTRANSMEM: Helical; Name=2 => ECO:0000269|PubMed:10864315
ChainResidueDetails
AGLU90-ARG110
BGLU90-ARG110

site_idSWS_FT_FI5
Number of Residues38
DetailsTRANSMEM: Helical; Name=3 => ECO:0000269|PubMed:10864315
ChainResidueDetails
AASP254-LEU273
BASP254-LEU273

site_idSWS_FT_FI6
Number of Residues34
DetailsTRANSMEM: Helical; Name=4 => ECO:0000269|PubMed:10864315
ChainResidueDetails
APHE296-ALA313
BPHE296-ALA313

site_idSWS_FT_FI7
Number of Residues38
DetailsTRANSMEM: Helical; Name=5 => ECO:0000269|PubMed:10864315
ChainResidueDetails
ALYS758-LEU777
BLYS758-LEU777

site_idSWS_FT_FI8
Number of Residues40
DetailsTRANSMEM: Helical; Name=6 => ECO:0000269|PubMed:10864315
ChainResidueDetails
AILE788-GLY808
BILE788-GLY808

site_idSWS_FT_FI9
Number of Residues44
DetailsTRANSMEM: Helical; Name=7 => ECO:0000269|PubMed:10864315
ChainResidueDetails
AILE829-ALA851
BILE829-ALA851

site_idSWS_FT_FI10
Number of Residues38
DetailsTRANSMEM: Helical; Name=8 => ECO:0000269|PubMed:10864315
ChainResidueDetails
ATHR898-SER917
BTHR898-SER917

site_idSWS_FT_FI11
Number of Residues36
DetailsTRANSMEM: Helical; Name=9 => ECO:0000269|PubMed:10864315
ChainResidueDetails
AILE931-TYR949
BILE931-TYR949

site_idSWS_FT_FI12
Number of Residues40
DetailsTRANSMEM: Helical; Name=10 => ECO:0000269|PubMed:10864315
ChainResidueDetails
ATHR965-LYS985
BTHR965-LYS985

site_idSWS_FT_FI13
Number of Residues2
DetailsACT_SITE: 4-aspartylphosphate intermediate => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:18075584
ChainResidueDetails
AASP351
BASP351

site_idSWS_FT_FI14
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8
ChainResidueDetails
AVAL304
BVAL304

site_idSWS_FT_FI15
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8
ChainResidueDetails
AALA305
BALA305

site_idSWS_FT_FI16
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4NAB, ECO:0007744|PDB:4XOU
ChainResidueDetails
AILE307
BILE307

site_idSWS_FT_FI17
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8
ChainResidueDetails
AGLU309
BGLU309

site_idSWS_FT_FI18
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:1WPG, ECO:0007744|PDB:1XP5, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:2ZBE, ECO:0007744|PDB:2ZBF, ECO:0007744|PDB:2ZBG, ECO:0007744|PDB:3AR8, ECO:0007744|PDB:3AR9, ECO:0007744|PDB:3B9B, ECO:0007744|PDB:3B9R, ECO:0007744|PDB:3FGO, ECO:0007744|PDB:3FPB, ECO:0007744|PDB:3N5K, ECO:0007744|PDB:4BEW, ECO:0007744|PDB:5A3Q, ECO:0007744|PDB:5A3S
ChainResidueDetails
AASP351
ATHR353
AASP703
BASP351
BTHR353
BASP703

site_idSWS_FT_FI19
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:2BY4, ECO:0007744|PDB:2C88, ECO:0007744|PDB:2DQS, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3AR3, ECO:0007744|PDB:4UU1, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA8
ChainResidueDetails
AGLU442
BGLU442

site_idSWS_FT_FI20
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:1WPG, ECO:0007744|PDB:2DQS, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3B9R, ECO:0007744|PDB:3FGO, ECO:0007744|PDB:3FPB, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4BEW, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA8
ChainResidueDetails
AARG489
BARG489

site_idSWS_FT_FI21
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:2BY4, ECO:0007744|PDB:2C8K, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4UU1, ECO:0007744|PDB:4XOU
ChainResidueDetails
ALYS515
BLYS515

site_idSWS_FT_FI22
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2BY4, ECO:0007744|PDB:2C88, ECO:0007744|PDB:2C8K, ECO:0007744|PDB:2DQS, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3B9R, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4H1W, ECO:0007744|PDB:4UU1, ECO:0007744|PDB:4XOU
ChainResidueDetails
AARG560
BARG560

site_idSWS_FT_FI23
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA8
ChainResidueDetails
ATHR625
BTHR625

site_idSWS_FT_FI24
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4UU1, ECO:0007744|PDB:4XOU
ChainResidueDetails
AGLY626
BGLY626

site_idSWS_FT_FI25
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0007744|PDB:1T5T
ChainResidueDetails
AASP627
BASP627

site_idSWS_FT_FI26
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3FGO, ECO:0007744|PDB:3FPB, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4BEW, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA8
ChainResidueDetails
AARG678
BARG678

site_idSWS_FT_FI27
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4XOU
ChainResidueDetails
ALYS684
BLYS684

site_idSWS_FT_FI28
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4XOU
ChainResidueDetails
AASN706
BASN706

site_idSWS_FT_FI29
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4NAB, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8
ChainResidueDetails
AASN768
ATHR799
BASN768
BTHR799

site_idSWS_FT_FI30
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8
ChainResidueDetails
AGLU771
BGLU771

site_idSWS_FT_FI31
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8
ChainResidueDetails
AASN796
BASN796

site_idSWS_FT_FI32
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4NAB, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8
ChainResidueDetails
AASP800
BASP800

site_idSWS_FT_FI33
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:4NAB, ECO:0007744|PDB:4XOU
ChainResidueDetails
AGLU908
BGLU908

site_idSWS_FT_FI34
Number of Residues4
DetailsMOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:Q64578
ChainResidueDetails
ATHR441
ATHR569
BTHR441
BTHR569

site_idSWS_FT_FI35
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q64578
ChainResidueDetails
ASER581
BSER581

Catalytic Information from CSA
site_idMCSA1
Number of Residues3
DetailsM-CSA 849
ChainResidueDetails
AASP351covalent catalysis
AASP703metal ligand
AASP707metal ligand

site_idMCSA2
Number of Residues3
DetailsM-CSA 849
ChainResidueDetails
BASP351covalent catalysis
BASP703metal ligand
BASP707metal ligand

220113

PDB entries from 2024-05-22

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