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2HMK

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

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 451
ChainResidue
AHIS208
AHIS213
AASP362
AHOH923

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 195
ChainResidue
BHOH880
BGLN63
BGLN65
BHOH790
BHOH820
BHOH871

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 196
ChainResidue
BGLY59
BSER60
BGLU167
BLYS172

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 452
ChainResidue
ATRP439
AHIS440
AEDO716
AHOH855
AHOH875

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 453
ChainResidue
ALEU128
ALYS130
ALYS131
AHOH1005

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 197
ChainResidue
ATHR87
ATHR368
AHOH805
AHOH812
AHOH952
BARG148
BHOH834

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE FES A 454
ChainResidue
ACYS81
AHIS83
AARG84
ACYS101
ATYR103
AHIS104
AGLY105
ATRP106

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEY A 701
ChainResidue
AASN201
AASP205
APHE224
AASN297
AHOH923

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 702
ChainResidue
BASP46
BARG115
BPHE116
BEDO721
BHOH781
BHOH856

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 703
ChainResidue
BGLU83
BALA84
BASN86
BHOH816
BHOH864

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 706
ChainResidue
BTYR88
BGLN102
BMET191
BVAL192
BPHE193
BHOH730
BHOH738

site_idBC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE EDO A 709
ChainResidue
ALEU31
APHE35
AALA36
AMET59
AGLY60
AILE61
AASP62
APHE152
ATYR376
AGLN377

site_idBC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 710
ChainResidue
AHIS18
AVAL80
ACYS81
AARG82
ASER381
AASP382
ALEU383
AHOH747
AHOH779

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 711
ChainResidue
AGLU24
ALYS374
AEDO712
AHOH770
AHOH909

site_idBC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 712
ChainResidue
AGLY22
AGLN28
ALYS374
AARG379
AEDO711
AHOH764
AHOH770
AHOH858
AHOH909

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 714
ChainResidue
APRO118
APHE119
AHOH954
AHOH1098

site_idBC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 715
ChainResidue
AASP346
AHOH749
AHOH896
BASN82
BHOH864
AARG342

site_idBC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 716
ChainResidue
AGLY164
AASP165
ASO4452

site_idCC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 717
ChainResidue
ATRP168
AVAL398
APRO400
ATHR438
AHIS440
AHOH768
AHOH855
AHOH930

site_idCC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 718
ChainResidue
AHOH1100
BASN91
BGLN94
BHOH833

site_idCC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 719
ChainResidue
ATRP254
AARG290
ATYR399
AHOH939

site_idCC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 720
ChainResidue
ATHR56
AGLU92
APRO186
ALYS188
AHOH1027
BGLU70
BARG183

site_idCC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 721
ChainResidue
BALA158
BGLU160
BPHE177
BVAL178
BASP179
BEDO702
BHOH755

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 722
ChainResidue
AVAL190
BGLN186
BTHR187
BHIS188

site_idCC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 723
ChainResidue
APHE272
ALYS276
AARG279
AHOH1002
AHOH1092

site_idCC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 724
ChainResidue
AHIS176
ASER177
ALYS276
AARG279
ALEU280
AASP335

site_idCC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 725
ChainResidue
AASN4
AHIS29
ATHR33
AVAL424
ASER425
ASER426
ASER427
AHOH1180

site_idDC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 726
ChainResidue
ALYS136
AGLN377
AHOH752

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 2024-09-11

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