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2HMM

Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Anthracene

Functional Information from GO Data
ChainGOidnamespacecontents
A0005506molecular_functioniron ion binding
A0009056biological_processcatabolic process
A0018625molecular_functionnaphthalene 1,2-dioxygenase activity
A0044237biological_processcellular metabolic process
A0046872molecular_functionmetal ion binding
A0051213molecular_functiondioxygenase activity
A0051537molecular_function2 iron, 2 sulfur cluster binding
B0009056biological_processcatabolic process
B0019380biological_process3-phenylpropionate catabolic process
B0051213molecular_functiondioxygenase activity
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE FE A 450
ChainResidue
AHIS208
AHIS213
AASP362
AHOH1055

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 806
ChainResidue
BHOH975
BGLN63
BGLN65
BHOH876
BHOH916
BHOH969

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 807
ChainResidue
BGLY59
BSER60
BGLU167
BLYS172
BEDO823

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 810
ChainResidue
ATRP439
AHIS440
AHOH899
AHOH965

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 828
ChainResidue
ALEU128
AASN129
ALYS130
ALYS131
AHOH1199

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FES A 829
ChainResidue
ACYS81
AHIS83
AARG84
ACYS101
AHIS104
ATRP106

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE AN3 A 801
ChainResidue
AASN201
AASP205
AHIS208
AVAL209
APHE224
AVAL260
AASN297
AHOH1055

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 802
ChainResidue
BTYR88
BGLN102
BMET191
BVAL192
BPHE193
BHOH848
BHOH852

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 803
ChainResidue
AHOH1242
BASN91
BGLN94
BHOH933

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B 804
ChainResidue
BARG138
BALA158
BGLU160
BPHE177
BVAL178
BASP179
BEDO818
BHOH843

site_idBC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 805
ChainResidue
APRO49
AALA50
AASP53
AHOH939
AHOH1153
AHOH1301
BARG78
BTYR79
BLYS80

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 808
ChainResidue
APRO118
APHE119
AHOH1056

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 809
ChainResidue
BGLU83
BALA84
BASN86
BHOH967

site_idBC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 811
ChainResidue
ATHR56
AGLU92
APRO186
ALYS188
AHOH1038
BGLU70
BARG183

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 812
ChainResidue
AARG342
AASP346
AHOH846
AHOH991
BASN82
BHOH967

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 813
ChainResidue
ATHR368
AHOH957
AHOH968
AHOH1048
BARG148
BHOH929

site_idBC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 814
ChainResidue
ALYS374
AHOH1118

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 815
ChainResidue
ALYS136
ATYR376
AGLN377
AHOH843

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 816
ChainResidue
BGLN186
BTHR187
BHIS188
BHOH977
AVAL190

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 817
ChainResidue
ASER73
AILE74
AVAL141
ASER143
AHOH1168

site_idCC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 818
ChainResidue
BASP46
BARG115
BPHE116
BEDO804
BHOH896
BHOH936

site_idCC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 819
ChainResidue
ATRP254
ATYR399
AHOH1289

site_idCC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 820
ChainResidue
ASER177
ALYS276
AARG279
AASP335

site_idCC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 821
ChainResidue
AASN4
AHIS29
ATHR33
AVAL424
ASER425
ASER426
AHOH1285

site_idCC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 822
ChainResidue
AHIS29
ALYS32

site_idCC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 823
ChainResidue
BGLY59
BGLU61
BLYS164
BARG165
BGLY166
BVAL174
BSO4807

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 824
ChainResidue
AGLY98
AVAL100
AGLY107
APHE108
AGLN115

site_idDC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO B 825
ChainResidue
BASN82
BHOH1030

site_idDC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE EDO A 826
ChainResidue
ALEU31
APHE35
AALA36
AMET59
AGLY60
AILE61
AASP62
APHE152
ATYR376
AGLN377

site_idDC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 827
ChainResidue
AHIS18
AVAL80
ACYS81
AARG82
ASER381
AASP382
AHOH839
AHOH869
AHOH889

Functional Information from PROSITE/UniProt
site_idPS00570
Number of Residues24
DetailsRING_HYDROXYL_ALPHA Bacterial ring hydroxylating dioxygenases alpha-subunit signature. CrHRGktlvsveaGNakgfvCsYH
ChainResidueDetails
ACYS81-HIS104

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ndo
ChainResidueDetails
AHIS208
AASP205

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1ndo
ChainResidueDetails
AHIS104

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PDB entries from 2024-07-10

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