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4KCQ

Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-(4-(2-(ethyl(3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0004517molecular_functionnitric-oxide synthase activity
A0006809biological_processnitric oxide biosynthetic process
B0004517molecular_functionnitric-oxide synthase activity
B0006809biological_processnitric oxide biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEM A 501
ChainResidue
ATRP180
APHE475
ATYR477
AH4B502
A1QF506
AHOH640
AHOH647
AARG185
ACYS186
ASER228
APHE355
ASER356
ATRP358
AGLU363
ATRP449

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B A 502
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM501
AGOL505
AHOH612
AHOH619
AHOH640
AHOH672
BTRP447
BPHE462
BHIS463
BGLN464
BGLU465

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 503
ChainResidue
AGLY188
ATRP358
ASER428

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 504
ChainResidue
AGLN249
AARG252
AASN368
AARG374
AHOH740

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 505
ChainResidue
AVAL106
AARG367
AHIS373
AH4B502
AHOH612
BTRP76

site_idAC6
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 1QF A 506
ChainResidue
AVAL106
ALEU107
APRO336
AVAL338
APHE355
ASER356
AGLY357
ATRP358
AGLU363
ATYR477
AHEM501
AHOH741
BTRP76

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 507
ChainResidue
ACYS96
ACYS101
BCYS96
BCYS101

site_idAC8
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEM B 501
ChainResidue
BTRP180
BARG185
BCYS186
BSER228
BPHE355
BSER356
BTRP358
BGLU363
BTRP449
BPHE475
BTYR477
BH4B502
B1QF503
BACT504
BHOH620
BHOH640
BHOH672

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B B 502
ChainResidue
ATRP447
APHE462
AGLU465
AHOH613
BSER104
BARG367
BALA448
BTRP449
BHEM501
BGOL506
BHOH623
BHOH640
BHOH644

site_idBC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 1QF B 503
ChainResidue
BSER356
BGLY357
BTRP358
BGLU363
BTYR477
BHEM501
BHOH607
BHOH682
ATRP76
BVAL106
BLEU107
BGLN249
BPRO336
BVAL338
BASN340
BPHE355

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 504
ChainResidue
BGLY188
BTRP358
BSER428
BHEM501
BHOH693
BHOH757

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 505
ChainResidue
BGLN249
BARG252
BASN368
BARG374
BHOH739

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 506
ChainResidue
ATRP76
AHOH613
BVAL106
BARG367
BHIS373
BTRP449
BH4B502

Functional Information from PROSITE/UniProt
site_idPS60001
Number of Residues8
DetailsNOS Nitric oxide synthase (NOS) signature. RCVGRIqW
ChainResidueDetails
AARG185-TRP192

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P35228
ChainResidueDetails
ACYS96
ACYS101
BCYS96
BCYS101

site_idSWS_FT_FI2
Number of Residues20
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ASER104
ATYR477
BSER104
BGLN249
BTRP358
BTYR359
BGLU363
BASN368
BALA448
BTRP449
BPHE462
AGLN249
BTYR477
ATRP358
ATYR359
AGLU363
AASN368
AALA448
ATRP449
APHE462

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ACYS186
BCYS186

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine; by CDK5 => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ASER116
BSER116

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PDB entries from 2024-07-24

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