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5NPP

2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA

Functional Information from GO Data
ChainGOidnamespacecontents
B0003677molecular_functionDNA binding
B0003918molecular_functionDNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
B0005524molecular_functionATP binding
B0006259biological_processDNA metabolic process
B0006265biological_processDNA topological change
D0003677molecular_functionDNA binding
D0003918molecular_functionDNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
D0005524molecular_functionATP binding
D0006259biological_processDNA metabolic process
D0006265biological_processDNA topological change
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue MN B 1501
ChainResidue
BASP508
BASP510
BHOH1740
BHOH1765
BHOH1796
DHOH1714

site_idAC2
Number of Residues9
Detailsbinding site for residue 94K B 1502
ChainResidue
BVAL1031
BMET1179
BARG1342
BPRO1343
BHOH1826
BHOH1833
BARG630
BILE633
BGLU634

site_idAC3
Number of Residues7
Detailsbinding site for residue GOL B 1503
ChainResidue
BGLU1251
BGLY1255
BARG1256
BHOH1605
BHOH1861
DSER1315
DASN1319

site_idAC4
Number of Residues7
Detailsbinding site for residue GOL B 1504
ChainResidue
BARG1047
BARG1048
BILE1147
BGLU1156
BHOH1673
BHOH1722
BHOH1746

site_idAC5
Number of Residues6
Detailsbinding site for residue GOL B 1505
ChainResidue
BGLU1190
BGLU1214
BASP1482
BASP1483
BARG1484
BHOH1721

site_idAC6
Number of Residues6
Detailsbinding site for residue NA B 1506
ChainResidue
BTYR1322
BLYS1323
BTHR1325
BGLN1328
BHOH1926
DHOH1916

site_idAC7
Number of Residues5
Detailsbinding site for residue DMS B 1507
ChainResidue
BPHE1097
BMET1113
BGLY1115
BHOH1904
BHOH1963

site_idAC8
Number of Residues6
Detailsbinding site for residue MN D 1501
ChainResidue
DASP508
DASP510
DHOH1673
DHOH1683
DHOH1738
FHOH112

site_idAC9
Number of Residues12
Detailsbinding site for residue 94K D 1502
ChainResidue
DARG630
DILE633
DGLU634
DALA637
DVAL1031
DMET1179
DARG1342
DPRO1343
DHOH1672
DHOH1828
DHOH1899
DHOH1965

site_idAD1
Number of Residues6
Detailsbinding site for residue GOL D 1503
ChainResidue
DPRO1044
DARG1047
DGLU1156
DHOH1688
DHOH1737
DHOH1837

site_idAD2
Number of Residues8
Detailsbinding site for residue GOL D 1504
ChainResidue
BARG1244
BASN1319
DGLU1251
DGLY1255
DARG1256
DGLN1257
DHOH1678
DHOH1754

site_idAD3
Number of Residues5
Detailsbinding site for residue GOL D 1505
ChainResidue
DGLY1115
DGLN1267
DHOH1818
DHOH1866
FDC-5

site_idAD4
Number of Residues3
Detailsbinding site for residue GOL D 1506
ChainResidue
DASP1389
DHIS1390
EDA-8

site_idAD5
Number of Residues6
Detailsbinding site for residue GOL A 101
ChainResidue
ADG1
ADT2
AHOH216
BSER1084
BHOH1742
EDG-1

site_idAD6
Number of Residues16
Detailsbinding site for residue 6EJ C 101
ChainResidue
BHOH1727
BHOH1855
CDT2
CDA3
CHOH219
DALA1068
DMET1075
DASP1083
DMET1121
ADT2
ADA3
BALA1068
BGLY1072
BMET1075
BASP1083
BMET1121

site_idAD7
Number of Residues8
Detailsbinding site for residue GOL C 102
ChainResidue
CDG1
CDT2
CHOH206
CHOH208
DSER1084
DHOH1669
FDA-2
FDG-1

Functional Information from PROSITE/UniProt
site_idPS00177
Number of Residues9
DetailsTOPOISOMERASE_II DNA topoisomerase II signature. LVEGDSAGG
ChainResidueDetails
BLEU433-GLY441

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01898
ChainResidueDetails
BASP510
DGLU435
DASP508
DASP510
BGLU435
BASP508

site_idSWS_FT_FI2
Number of Residues4
DetailsSITE: Interaction with DNA => ECO:0000255|HAMAP-Rule:MF_01898
ChainResidueDetails
BLYS460
BASN463
DLYS460
DASN463

site_idSWS_FT_FI3
Number of Residues2
DetailsACT_SITE: O-(5'-phospho-DNA)-tyrosine intermediate => ECO:0000255|HAMAP-Rule:MF_01897
ChainResidueDetails
BTYR1123
DTYR1123

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PDB entries from 2024-04-17

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