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3N61

Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)

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 750
ChainResidue
ATRP409
APHE704
AH4B760
AXFJ800
AACT860
AHOH1005
AHOH1031
AHOH1171
ACYS415
APHE584
ASER585
AGLY586
ATRP587
AGLU592
AARG596
ATRP678

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE XFJ A 800
ChainResidue
AVAL336
ALEU337
AARG414
AGLN478
AVAL567
ATRP587
AGLU592
AARG596
ATYR706
AHEM750
AHOH1005
AHOH1102
BTRP306

site_idAC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER334
AVAL677
ATRP678
AHEM750
ACL910
AHOH1004
AHOH1005
AHOH1021
BTRP676
BPHE691
BHIS692
BGLN693
BGLU694

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP587
ASER657
AHEM750

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

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 910
ChainResidue
AARG596
AASP600
AH4B760
AZN901
ACL911
AHOH1087

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CL A 911
ChainResidue
AARG596
AASP600
AZN901
ACL910
AHOH1087
BSER686
BHIS692

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 901
ChainResidue
AASP600
ACL910
ACL911
BHIS692

site_idAC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP409
BCYS415
BPHE584
BSER585
BTRP587
BGLU592
BARG596
BH4B760
BXFJ800
BACT860
BHOH1239
BHOH1323

site_idBC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE XFJ B 800
ChainResidue
ATRP306
BVAL336
BLEU337
BARG414
BGLN478
BVAL567
BPHE584
BTRP587
BGLU592
BARG596
BTYR706
BHEM750
BHOH1279

site_idBC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
BHEM750
BCL910
BHOH1203
BHOH1361
ATRP676
APHE691
AHIS692
AGLN693
AGLU694
BSER334
BVAL677
BTRP678

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP587
BHEM750
BHOH1295
BHOH1390
BHOH1391

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 910
ChainResidue
BARG596
BASP600
BH4B760
BZN901
BCL911
BHOH1231

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL B 911
ChainResidue
ASER686
BARG596
BASP600
BZN901
BCL910
BHOH1231

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 901
ChainResidue
AHIS692
BASP600
BCL910
BCL911

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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