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3JX3

Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine

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 Residues13
DetailsBINDING SITE FOR RESIDUE HEM A 750
ChainResidue
ATRP409
AJI5800
AHOH1017
AHOH1027
AHOH1087
ACYS415
AVAL416
APHE584
ASER585
ATRP587
AGLU592
APHE704
AH4B760

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER334
AARG596
AVAL677
ATRP678
AHEM750
AJI5800
AHOH1115
BTRP676
BPHE691
BHIS692
BGLN693
BGLU694

site_idAC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE JI5 A 800
ChainResidue
AVAL336
ALEU337
AARG414
AGLN478
ASER585
AGLY586
ATRP587
AGLU592
ATRP678
ATYR706
AHEM750
AH4B760
AHOH1012
AHOH1017
AHOH1030
BTRP306

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP587
ASER657

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS326
ACYS331
BCYS326
BCYS331

site_idAC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP409
BCYS415
BPHE584
BSER585
BTRP587
BGLU592
BPHE704
BH4B760
BJI5800
BHOH1055
BHOH1098
BHOH1146

site_idAC7
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
ATRP676
APHE691
AHIS692
AGLN693
AGLU694
BSER334
BVAL336
BARG596
BVAL677
BTRP678
BHEM750
BJI5800
BHOH1023
BHOH1032

site_idAC8
Number of Residues15
DetailsBINDING SITE FOR RESIDUE JI5 B 800
ChainResidue
ATRP306
BVAL336
BARG414
BGLN478
BPHE584
BSER585
BGLY586
BTRP587
BGLU592
BTRP678
BTYR706
BHEM750
BH4B760
BHOH1012
BHOH1146

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP587
BHOH1151
BHOH1162

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 2024-04-24

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