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3JX2

Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'S,4'S)-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 Residues15
DetailsBINDING SITE FOR RESIDUE HEM A 750
ChainResidue
ATRP409
AH4B760
AJI4800
AACT860
AHOH1021
AHOH1031
AHOH1069
AARG414
ACYS415
ASER457
APHE584
ASER585
ATRP587
AGLU592
ATYR706

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER334
AVAL336
AARG596
AVAL677
ATRP678
AHEM750
AGOL880
AHOH1001
AHOH1021
AHOH1039
BTRP676
BPHE691
BHIS692
BGLN693
BGLU694

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE JI4 A 800
ChainResidue
AVAL336
AGLN478
APHE584
ATRP587
ATYR588
AGLU592
ATRP678
ATYR706
AHEM750
AGOL880
AHOH1000
BTRP306

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP587
AHEM750

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AARG596
ATRP678
AH4B760
AJI4800
BTRP306

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS326
ACYS331
BCYS326
BCYS331

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP409
BARG414
BCYS415
BPHE584
BSER585
BGLY586
BTRP587
BGLU592
BTRP678
BPHE704
BTYR706
BH4B760
BJI4800
BHOH1039
BHOH1055
BHOH1112

site_idAC8
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
ATRP676
APHE691
AHIS692
AGLN693
AGLU694
BSER334
BARG596
BVAL677
BTRP678
BHEM750
BGOL880
BHOH1002
BHOH1039
BHOH1105

site_idAC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE JI4 B 800
ChainResidue
ATRP306
BVAL336
BLEU337
BVAL567
BPHE584
BTRP587
BGLU592
BTYR706
BHEM750
BGOL880
BHOH1000
BHOH1080

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BGLY417
BTRP587
BHOH1098

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
AHIS692
BARG596
BH4B760
BJI4800
BHOH1094
ATRP306

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

222036

PDB entries from 2024-07-03

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