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1II0

CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI ARSENITE-TRANSLOCATING ATPASE

Functional Information from GO Data
ChainGOidnamespacecontents
A0005524molecular_functionATP binding
A0015446molecular_functionATPase-coupled arsenite transmembrane transporter activity
A0016887molecular_functionATP hydrolysis activity
A0046685biological_processresponse to arsenic-containing substance
A0071722biological_processdetoxification of arsenic-containing substance
B0005524molecular_functionATP binding
B0015446molecular_functionATPase-coupled arsenite transmembrane transporter activity
B0016887molecular_functionATP hydrolysis activity
B0046685biological_processresponse to arsenic-containing substance
B0071722biological_processdetoxification of arsenic-containing substance
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CD A 594
ChainResidue
ACYS113
ACYS172
ACYS422
ACL597
AHOH2005

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CD A 595
ChainResidue
AHOH2026
AHOH2092
ACYS172
AHIS453
ACL597
ACL598

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CD A 596
ChainResidue
ACYS113
AHIS148
ASER420
AHOH2297
AHOH3025

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CD B 1594
ChainResidue
BCYS1113
BCYS1172
BSER1420
BCYS1422
BCD1595
BCL1597
BHOH2004

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CD B 1595
ChainResidue
BCYS1172
BHIS1453
BCD1594
BCL1597
BCL1598
BHOH2003

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CD B 1596
ChainResidue
BCYS1113
BHIS1148
BSER1420
BCL1599
BHOH2333

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CD A 600
ChainResidue
AASP320
AHOH3026
ACL4000
BHIS1585
BHIS1587

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CD A 601
ChainResidue
AHIS585
AHIS588
AHOH2010
AHOH2019
AHOH2029
AHOH2034

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CD A 602
ChainResidue
AHIS584
AHIS586
BGLU1326
BHOH2009

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CD A 603
ChainResidue
AGLU168
AHIS397
AHOH2120
AHOH2160

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CD A 604
ChainResidue
AASP386
AHIS388
BASP1386
BHIS1388

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CD A 605
ChainResidue
AGLU515
AHIS520
AHOH2152

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CD B 1601
ChainResidue
AHIS587
AHIS589
BASP1321
BHIS1588
BHOH2199

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CD B 1602
ChainResidue
AGLU326
BHIS1584
BHIS1586
BHOH2051

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CD B 1603
ChainResidue
BGLU1168
BHIS1397

site_idBC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CD B 1607
ChainResidue
BHIS1589
BHOH2033
BHOH3031

site_idBC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CD B 1608
ChainResidue
BGLU1515
BHIS1520
BCL4001

site_idBC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CL A 597
ChainResidue
AGLY111
AALA112
ACYS113
ACYS172
AHIS453
ACD594
ACD595
ACL598

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 598
ChainResidue
AGLN108
AGLY111
ATHR114
ACD595
ACL597

site_idCC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CL B 1597
ChainResidue
BALA1112
BCYS1113
BCYS1172
BHIS1453
BCD1594
BCD1595
BCL1598

site_idCC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CL B 1598
ChainResidue
BTHR1114
BHIS1453
BCD1595
BCL1597
BHOH2003
BGLN1108
BGLY1111

site_idCC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 1599
ChainResidue
BCYS1113
BILE1117
BCD1596
BHOH2333

site_idCC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 4000
ChainResidue
AASP320
AHIS585
AHIS587
ACD600
BHIS1585
BHIS1587

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 4001
ChainResidue
BGLU1515
BCD1608
BHOH2195
BHOH3029

site_idCC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 592
ChainResidue
ATHR22
AASP45
AADP590
AHOH2164
AHOH2260
AHOH2309

site_idCC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 593
ChainResidue
ATHR341
AASP447
AATP591
AHOH2083
AHOH2175
AHOH2323

site_idCC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 1592
ChainResidue
BTHR1022
BASP1045
BADP1590
BHOH2007
BHOH2012
BHOH2236

site_idDC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 1593
ChainResidue
BTHR1341
BATP1591
BHOH2073
BHOH2102
BHOH2209

site_idDC2
Number of Residues24
DetailsBINDING SITE FOR RESIDUE ADP A 590
ChainResidue
AGLY18
AVAL19
AGLY20
ALYS21
ATHR22
ASER23
AASN235
AGLY236
APHE276
ALEU277
AGLN278
AASN281
AMET282
ATHR501
ATHR502
AARG543
AMG592
ATAS701
AHOH2065
AHOH2100
AHOH2157
AHOH2164
AHOH2260
AHOH2309

site_idDC3
Number of Residues21
DetailsBINDING SITE FOR RESIDUE ADP B 1590
ChainResidue
BGLY1018
BVAL1019
BGLY1020
BLYS1021
BTHR1022
BSER1023
BASN1235
BGLY1236
BPHE1276
BLEU1277
BGLN1278
BASN1281
BMET1282
BTHR1501
BTHR1502
BARG1543
BMG1592
BTAS1701
BHOH2007
BHOH2012
BHOH2236

site_idDC4
Number of Residues20
DetailsBINDING SITE FOR RESIDUE ATP A 591
ChainResidue
AGLN208
AGLY336
AGLY337
AVAL338
AGLY339
ALYS340
ATHR341
ATHR342
AASN527
AASN528
APRO566
ALEU568
APRO572
ALEU581
AMG593
AHOH2042
AHOH2083
AHOH2171
AHOH2175
AHOH2323

site_idDC5
Number of Residues18
DetailsBINDING SITE FOR RESIDUE ATP B 1591
ChainResidue
BGLY1336
BGLY1337
BVAL1338
BGLY1339
BLYS1340
BTHR1341
BTHR1342
BASN1527
BASN1528
BPRO1566
BLEU1568
BGLU1571
BPRO1572
BMG1593
BHOH2073
BHOH2102
BHOH2193
BHOH2209

site_idDC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE TAS A 701
ChainResidue
AARG206
ALEU277
AGLU500
AARG543
AADP590

site_idDC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE TAS B 1701
ChainResidue
BARG1206
BGLU1500
BARG1543
BADP1590

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255
ChainResidueDetails
AGLY15
AGLY334
BGLY1015
BGLY1334

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1f48
ChainResidueDetails
ALYS21
AGLY18

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1f48
ChainResidueDetails
BLYS1021
BGLY1018

site_idMCSA1
Number of Residues7
DetailsM-CSA 799
ChainResidueDetails
AGLY18electrostatic stabiliser
AGLY20
ALYS21
ATHR22
ASER23
AASP45
ATHR502

site_idMCSA2
Number of Residues7
DetailsM-CSA 799
ChainResidueDetails
BGLY1018electrostatic stabiliser
BGLY1020
BLYS1021
BTHR1022
BSER1023
BASP1045
BTHR1502

224572

PDB entries from 2024-09-04

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