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4UPS

Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}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 500
ChainResidue
ATRP180
ATYR477
AH4B600
A6E5800
AHOH2128
AHOH2191
AHOH2192
AHOH2193
AARG185
ACYS186
ASER228
APHE355
ASER356
ATRP358
AGLU363
ATRP449

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AVAL106
AARG367
AALA448
ATRP449
AHEM500
AGOL880
AHOH2138
AHOH2175
AHOH2192
BTRP447
BPHE462
BHIS463
BGLN464

site_idAC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 6E5 A 800
ChainResidue
ALEU107
APRO336
AVAL338
AASN340
APHE355
ASER356
AGLY357
ATRP358
AGLU363
ATYR477
AGLN478
AASP480
AHEM500

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP358
AVAL420
ASER428
AHOH2051
AHOH2162

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 861
ChainResidue
AGLN249
AARG252
AASN368
AARG374
AHOH2089

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AVAL106
AARG367
AHIS373
ATRP449
AH4B600
AHOH2138
BTRP76

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BVAL187
BSER228
BPHE355
BSER356
BTRP358
BGLU363
BTRP449
BTYR477
BH4B600
B6E5800
BHOH2151
BHOH2152
BHOH2153

site_idAC8
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
ATRP447
APHE462
AGLN464
AGLU465
AHOH2184
BSER104
BARG367
BALA448
BTRP449
BHEM500
BGOL880
BHOH2019
BHOH2141
BHOH2152

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 6E5 B 800
ChainResidue
BGLN478
BHEM500
BGOL880
BHOH2111
BLEU107
BPRO336
BVAL338
BPHE355
BSER356
BGLY357
BTRP358
BGLU363
BTYR477

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BGLY188
BTRP358
BVAL420
BSER428
BHOH2053

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 861
ChainResidue
BARG252
BASN368
BARG374
BHOH2088

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
AHOH2184
BVAL106
BARG367
BHIS373
BTRP449
BH4B600
B6E5800

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 1483
ChainResidue
ACYS96
ACYS101
BCYS96
BCYS101

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 site: {"evidences":[{"source":"UniProtKB","id":"P35228","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues20
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"P29474","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsBinding site: {"description":"axial binding residue","evidences":[{"source":"UniProtKB","id":"P29474","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

245663

PDB entries from 2025-12-03

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