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2HMO

Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to 3-Nitrotoluene.

Functional Information from GO Data
ChainGOidnamespacecontents
A0005506molecular_functioniron ion binding
A0018625molecular_functionnaphthalene 1,2-dioxygenase activity
A0019439biological_processobsolete aromatic compound catabolic process
A0044237biological_processcellular metabolic process
A0046872molecular_functionmetal ion binding
A0051213molecular_functiondioxygenase activity
A0051537molecular_function2 iron, 2 sulfur cluster binding
B0006725biological_processobsolete cellular aromatic compound metabolic process
B0019380biological_process3-phenylpropionate catabolic process
B0019439biological_processobsolete aromatic compound catabolic process
B0051213molecular_functiondioxygenase activity
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FE A 450
ChainResidue
AHIS208
AHIS213
AASP362
AHOH1059
AHOH1102

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 805
ChainResidue
AHOH1143
ALEU128
AASN129
ALYS130
ALYS131

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 810
ChainResidue
BGLN63
BGLN65
BHOH881
BHOH912
BHOH946
BHOH949

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 811
ChainResidue
BGLY59
BSER60
BGLU167
BLYS172

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 814
ChainResidue
ALYS245
ATRP439
AHIS440
AEDO822
AHOH951
AHOH1039

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE FES A 815
ChainResidue
ACYS81
AHIS83
AARG84
ACYS101
ATYR103
AHIS104
ATRP106

site_idAC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 3NT A 801
ChainResidue
AASN201
APHE202
AASP205
AVAL209
AVAL260
AHIS295
AASN297
ATRP358
AHOH1059
AHOH1102

site_idAC8
Number of Residues10
DetailsBINDING SITE FOR RESIDUE EDO A 803
ChainResidue
ALEU31
APHE35
AALA36
AMET59
AGLY60
AILE61
AASP62
APHE152
ATYR376
AGLN377

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 804
ChainResidue
AHIS18
AVAL80
ACYS81
AARG82
ASER381
AASP382
AHOH828
AHOH856
AHOH884

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 806
ChainResidue
BTYR88
BGLN102
BMET191
BVAL192
BPHE193
BHOH836
BHOH850

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 807
ChainResidue
AHOH1273
BASN91
BGLN94
BHOH925

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 808
ChainResidue
BALA158
BGLU160
BPHE177
BVAL178
BASP179
BHOH840
BHOH1003

site_idBC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE EDO A 809
ChainResidue
APRO49
AALA50
AASP53
AHOH959
AHOH1210
AHOH1266
BARG78
BTYR79
BLYS80
BLEU81

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 812
ChainResidue
APRO118
APHE119
AHOH1062
AHOH1204

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 813
ChainResidue
AHOH1290
BGLU83
BALA84
BASN86
BHOH905

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 816
ChainResidue
ATRP254
ATYR399
ALYS405
AHOH1280

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 817
ChainResidue
AARG342
AASP346
AHOH845
AHOH1290
BASN82

site_idBC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO B 817
ChainResidue
AARG342
BASN82

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 818
ChainResidue
AASP396
AVAL398
AHIS440
AHOH864
AHOH951
AHOH1011

site_idCC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 819
ChainResidue
ALYS136
AGLN377
AHOH836
AHOH1182

site_idCC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO B 820
ChainResidue
BLYS9
BLEU10
BVAL11
BSER12
BLYS113
BHOH991

site_idCC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 821
ChainResidue
ATHR56
AGLU92
APRO186
ALYS188
AHOH1064
AHOH1218
BGLU70
BARG183

site_idCC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 822
ChainResidue
AGLY164
AASP165
ASO4814

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 823
ChainResidue
ALYS375
AHOH949
AHOH1330
BASN150

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

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PDB entries from 2024-06-12

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