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2PGN

The crystal structure of FAD and ThDP-dependent Cyclohexane-1,2-dione Hydrolase in Complex with Cyclohexane-1,2-dione

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0003824molecular_functioncatalytic activity
A0030976molecular_functionthiamine pyrophosphate binding
B0000287molecular_functionmagnesium ion binding
B0003824molecular_functioncatalytic activity
B0030976molecular_functionthiamine pyrophosphate binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 610
ChainResidue
AASP451
AASN478
ASER480
AHOH1768

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG B 611
ChainResidue
BASP451
BASN478
BSER480
BHOH845

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE P6G A 646
ChainResidue
ALEU188
ATHR303
APRO305
AHOH1919
ALYS185

site_idAC4
Number of Residues38
DetailsBINDING SITE FOR RESIDUE FAD A 612
ChainResidue
AHIS153
AGLY213
AGLY214
AGLY215
AARG218
ASER219
ATHR239
ASER240
ATHR241
AALA257
AGLY258
APHE259
ACYS260
AGLY261
AGLY279
ASER280
AARG281
ALEU282
ASER283
ATRP285
AGLY286
AASP302
ATHR303
AASP304
AALA320
AASP321
AALA322
ASER420
AMET421
AALA422
AGLY424
AHOH1604
AHOH1625
AHOH1637
AHOH1638
AHOH1649
AHOH1759
AHOH1764

site_idAC5
Number of Residues37
DetailsBINDING SITE FOR RESIDUE FAD B 613
ChainResidue
BHIS153
BGLY213
BGLY214
BGLY215
BARG218
BSER219
BTHR239
BSER240
BTHR241
BALA257
BGLY258
BPHE259
BCYS260
BGLY261
BGLY279
BSER280
BARG281
BSER283
BTRP285
BGLY286
BASP302
BTHR303
BASP304
BASP321
BALA322
BPHE406
BSER420
BMET421
BALA422
BGLY424
BHOH650
BHOH655
BHOH673
BHOH699
BHOH719
BHOH837
BHOH840

site_idAC6
Number of Residues22
DetailsBINDING SITE FOR RESIDUE TPP A 614
ChainResidue
AASN478
ASER480
ATYR481
AGLY482
AALA483
AASN484
AHOH1670
AHOH1768
BILE26
BGLU52
BHIS76
AILE398
AGLY399
AASN400
AHIS401
AGLY424
ALEU426
AGLY450
AASP451
AGLY452
AALA453
ATYR456

site_idAC7
Number of Residues22
DetailsBINDING SITE FOR RESIDUE TPP B 615
ChainResidue
AILE26
AGLU52
AHIS76
BILE398
BGLY399
BASN400
BHIS401
BGLY424
BLEU426
BGLY450
BASP451
BGLY452
BALA453
BTYR456
BASN478
BSER480
BTYR481
BGLY482
BALA483
BASN484
BHOH708
BHOH845

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CXO B 601
ChainResidue
ATRP285
AASN484
BGLY27
BHIS28
BHIS76
BGLN116

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CXO A 1601
ChainResidue
AGLY27
AHIS28
AHIS76
AGLN116
BTRP285
BASN484

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE P6G A 641
ChainResidue
ATRP120
AARG132
AHOH1700
AHOH1923
BHOH854

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE P6G B 642
ChainResidue
BARG91
BTHR124
BPRO125
BALA127
BARG128
BHOH964
BHOH1049

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE P6G B 643
ChainResidue
AHOH1776
BTRP120
BARG132
BHOH789
BHOH1122
BHOH1158

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE P6G A 644
ChainResidue
ALYS510
AALA511
BASP504

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE P6G A 645
ChainResidue
AARG91
ATHR124
APRO125
AARG128
AHOH1948

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE P6G A 647
ChainResidue
AGLU466
AHOH1760
BGLU16
BHIS41
BGLU499
BMET501

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE P6G B 648
ChainResidue
BARG389
BPRO441
BSER443
BARG444
BHOH997
BHOH1113

site_idBC8
Number of Residues11
DetailsBINDING SITE FOR RESIDUE P6G B 649
ChainResidue
BTRP363
BGLU366
BGLN367
BILE533
BASP534
BGLY536
BSER546
BASP554
BHOH929
BHOH997
BHOH1251

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PDB entries from 2024-04-24

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