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3B3O

Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)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 Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
AGLN420
ATRP587
AHOH995
AHOH1012
AHOH1068

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BHOH1032
BGLN420
BTRP587
BHOH971
BHOH1012

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS326
ACYS331
BCYS326
BCYS331

site_idAC4
Number of Residues14
DetailsBINDING SITE FOR RESIDUE HEM A 750
ChainResidue
ATRP409
AALA412
ACYS415
ASER457
APHE584
ASER585
ATRP587
AMET589
AGLU592
ATRP678
ATYR706
AHOH907
AHOH923
AHOH936

site_idAC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER334
AARG596
ATRP678
AHOH902
AHOH907
AHOH921
AHOH948
AHOH1004
BTRP676
BPHE691
BHIS692
BGLN693
BGLU694

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE JI3 A 800
ChainResidue
AGLN478
APHE584
ATRP587
AGLU592
ATRP678
ATYR706
AHOH905
BTRP306

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP409
BCYS415
BPHE584
BSER585
BTRP587
BGLU592
BTRP678
BTYR706
BHOH873
BHOH886
BHOH897
BHOH974

site_idAC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
ATRP676
APHE691
AHIS692
AGLN693
AGLU694
BSER334
BMET336
BARG596
BTRP678
BHOH873
BHOH887
BHOH915

site_idAC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE JI3 B 800
ChainResidue
ATRP306
BLEU337
BGLN478
BPHE584
BGLY586
BTRP587
BTYR588
BGLU592
BTRP678
BTYR706
BHOH870
BHOH974

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

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 3nos
ChainResidueDetails
ACYS415
ATRP587
AGLU592
AARG418

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 3nos
ChainResidueDetails
BCYS415
BTRP587
BGLU592
BARG418

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PDB entries from 2024-07-24

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