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4UPO

Structure of rat neuronal 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 Residues17
DetailsBINDING SITE FOR RESIDUE HEM A 750
ChainResidue
ATRP409
ATYR706
AH4B760
A6E5800
AACT860
AHOH2077
AHOH2119
AHOH2120
AHOH2121
AARG414
ACYS415
ASER457
APHE584
ASER585
ATRP587
AGLU592
ATRP678

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER334
AARG596
AVAL677
ATRP678
AHEM750
AHOH2034
AHOH2088
AHOH2107
AHOH2120
BTRP676
BPHE691
BHIS692
BGLN693
BGLU694

site_idAC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 6E5 A 800
ChainResidue
APRO565
AVAL567
APHE584
ASER585
AGLY586
ATRP587
AGLU592
AGLN707
AHEM750
AHOH2076
BTRP306

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
AGLY417
AGLN420
ATRP587
AHEM750

site_idAC5
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP409
BARG414
BCYS415
BSER457
BPHE584
BSER585
BTRP587
BGLU592
BTRP678
BTYR706
BH4B760
B6E5800
BHOH2132
BHOH2163
BHOH2164
BHOH2165

site_idAC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
ATRP676
APHE691
AHIS692
AGLN693
AGLU694
BSER334
BARG596
BVAL677
BTRP678
BHEM750
BHOH2011
BHOH2141
BHOH2158
BHOH2165

site_idAC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 6E5 B 800
ChainResidue
ATRP306
BPRO565
BVAL567
BPHE584
BSER585
BGLY586
BTRP587
BGLU592
BTRP678
BTYR706
BGLN707
BASP709
BHEM750

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BGLY417
BGLN420
BTRP587
BVAL649
BHOH2038
BHOH2150

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 1717
ChainResidue
ACYS326
ACYS331
BCYS326
BCYS331

Functional Information from PROSITE/UniProt
site_idPS60001
Number of Residues8
DetailsNOS Nitric oxide synthase (NOS) signature. RCVGRIqW
ChainResidueDetails
AARG414-TRP421

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues18
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P29475
ChainResidueDetails
ASER334
BSER334
BGLN478
BTRP587
BTYR588
BGLU592
BVAL677
BTRP678
BPHE691
BTYR706
AGLN478
ATRP587
ATYR588
AGLU592
AVAL677
ATRP678
APHE691
ATYR706

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000250|UniProtKB:P29475
ChainResidueDetails
ACYS415
BCYS415

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PDB entries from 2024-07-17

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