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1S0M

Crystal structure of a Benzo[a]pyrene Diol Epoxide adduct in a ternary complex with a DNA polymerase

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0003677molecular_functionDNA binding
A0003684molecular_functiondamaged DNA binding
A0003887molecular_functionDNA-directed DNA polymerase activity
A0005737cellular_componentcytoplasm
A0006260biological_processDNA replication
A0006261biological_processDNA-templated DNA replication
A0006281biological_processDNA repair
A0006974biological_processDNA damage response
A0042276biological_processerror-prone translesion synthesis
A0046872molecular_functionmetal ion binding
B0000287molecular_functionmagnesium ion binding
B0003677molecular_functionDNA binding
B0003684molecular_functiondamaged DNA binding
B0003887molecular_functionDNA-directed DNA polymerase activity
B0005737cellular_componentcytoplasm
B0006260biological_processDNA replication
B0006261biological_processDNA-templated DNA replication
B0006281biological_processDNA repair
B0006974biological_processDNA damage response
B0042276biological_processerror-prone translesion synthesis
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 401
ChainResidue
AASP7
AASP105
AGLU106
ADTP803
AHOH917

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 403
ChainResidue
EHOH171
EDT1813
BASP7
BASP105
BGLU106
BDTP804

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 402
ChainResidue
AASP7
APHE8
AASP105
ADTP803

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA B 404
ChainResidue
BASP7
BPHE8
BASP105
BDTP804

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE CA B 405
ChainResidue
BALA181
BILE186
BHOH851
BHOH852
BHOH853
BHOH889
EHOH175
EHOH272
EDT1812

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 406
ChainResidue
AALA181
AILE186
AHOH805
AHOH878
AHOH914
CHOH269

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 407
ChainResidue
AASP294
AHOH873
AHOH875
AHOH908
AHOH913
CHOH127

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA E 408
ChainResidue
BASP294
BHOH813
BHOH861
EHOH122
EDG1809

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE BAP D 1920
ChainResidue
ADTP803
CHOH165
CDT1813
DHOH33
DDA1906

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE BAP F 1920
ChainResidue
BILE295
BDTP804
EHOH167
EDT1811
EDT1812
FHOH311
FDT1905
FDA1906
FDA1907

site_idBC2
Number of Residues22
DetailsBINDING SITE FOR RESIDUE DTP A 803
ChainResidue
AASP7
APHE8
ATYR10
APHE11
AALA44
ATHR45
AARG51
AALA57
AGLY58
AASP105
ALYS159
AMG401
ACA402
AHOH804
AHOH819
AHOH827
AHOH840
AHOH841
AHOH915
AHOH922
DDT1905
DBAP1920

site_idBC3
Number of Residues20
DetailsBINDING SITE FOR RESIDUE DTP B 804
ChainResidue
FDT1905
FBAP1920
BASP7
BPHE8
BASP9
BTYR10
BPHE11
BTYR12
BALA44
BTHR45
BTYR48
BARG51
BASP105
BLYS159
BCA403
BCA404
BHOH823
BHOH849
BHOH868
EDT1813

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE:
ChainResidueDetails
AGLU106
BGLU106

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING:
ChainResidueDetails
AASP7
AASP105
BASP7
BASP105

site_idSWS_FT_FI3
Number of Residues2
DetailsSITE: Substrate discrimination
ChainResidueDetails
ATYR12
BTYR12

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PDB entries from 2024-07-17

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