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4KCR

Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-(3-(((3-fluorophenethyl)amino)methyl)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 Residues16
DetailsBINDING SITE FOR RESIDUE HEM A 501
ChainResidue
ATRP180
APHE475
ATYR477
AH4B502
A5H3503
AHOH622
AHOH662
AHOH725
AARG185
ACYS186
ASER228
APHE355
ASER356
ATRP358
AGLU363
ATRP449

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE H4B A 502
ChainResidue
ASER104
AVAL106
AARG367
AALA448
ATRP449
AHEM501
AGOL506
AHOH603
AHOH622
AHOH647
AHOH692
BTRP447
BPHE462
BHIS463
BGLN464
BGLU465

site_idAC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 5H3 A 503
ChainResidue
AVAL106
ALEU107
APRO336
AVAL338
APHE355
ASER356
AGLY357
ATRP358
AGLU363
AHEM501
AHOH725

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 504
ChainResidue
ATRP358
AVAL420
ASER428
AHOH762

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 505
ChainResidue
AGLN249
AARG252
AASN368
AARG374
AHOH617
AHOH708

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 506
ChainResidue
AVAL106
AARG367
AHIS373
ATRP449
AH4B502
AHOH603
BTRP76

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

site_idAC8
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEM B 501
ChainResidue
BTRP180
BARG185
BCYS186
BVAL187
BSER228
BPHE355
BSER356
BTRP358
BGLU363
BTRP449
BTYR477
BH4B502
B5H3503
BHOH629
BHOH686
BHOH723

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B B 502
ChainResidue
ATRP447
APHE462
AGLU465
AHOH606
BSER104
BARG367
BALA448
BTRP449
BHEM501
BGOL506
BHOH629
BHOH659
BHOH685

site_idBC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 5H3 B 503
ChainResidue
BGLY357
BTRP358
BGLU363
BHEM501
BGOL506
ATRP76
BLEU107
BPRO336
BVAL338
BPHE355
BSER356

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 504
ChainResidue
BTRP358
BVAL420
BSER428
BHOH760
BHOH761
BHOH762
BHOH766

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 505
ChainResidue
BGLN249
BARG252
BASN368
BARG374
BHOH634

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 506
ChainResidue
AHOH606
BVAL106
BARG367
BHIS373
BTRP449
BH4B502
B5H3503

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 2024-04-24

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