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1QI9

X-RAY SIRAS STRUCTURE DETERMINATION OF A VANADIUM-DEPENDENT HALOPEROXIDASE FROM ASCOPHYLLUM NODOSUM AT 2.0 A RESOLUTION

Functional Information from GO Data
ChainGOidnamespacecontents
A0004601molecular_functionperoxidase activity
A0019806molecular_functionbromide peroxidase activity
A0046872molecular_functionmetal ion binding
A0098869biological_processcellular oxidant detoxification
B0004601molecular_functionperoxidase activity
B0019806molecular_functionbromide peroxidase activity
B0046872molecular_functionmetal ion binding
B0098869biological_processcellular oxidant detoxification
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE VO4 A 600
ChainResidue
ALYS341
AHOH1350
AARG349
APRO409
AHIS411
ASER416
AGLY417
AHIS418
AARG480
AHIS486

site_idAC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 601
ChainResidue
ALYS362

site_idAC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 602
ChainResidue
AMET153

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD A 603
ChainResidue
AASP457
APHE458
AHOH995

site_idAC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE VO4 B 600
ChainResidue
BLYS341
BARG349
BPRO409
BHIS411
BSER416
BGLY417
BHIS418
BARG480
BHIS486
BHOH1387

site_idAC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD B 601
ChainResidue
BMET153

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD B 602
ChainResidue
BASP457
BHOH878

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE:
ChainResidueDetails
AHIS411
AHIS418

site_idSWS_FT_FI2
Number of Residues7
DetailsBINDING: BINDING => ECO:0000269|PubMed:10543953, ECO:0007744|PDB:1QI9
ChainResidueDetails
ALYS341
AARG349
ASER416
AGLY417
AHIS418
AARG480
AHIS486

site_idSWS_FT_FI3
Number of Residues1
DetailsMOD_RES: Pyrrolidone carboxylic acid => ECO:0000269|PubMed:10543953
ChainResidueDetails
APCA1

Catalytic Information from CSA
site_idCSA1
Number of Residues4
Details
ChainResidueDetails
AHIS411
AHIS418
AHIS486
ALYS341

site_idCSA2
Number of Residues4
Details
ChainResidueDetails
BHIS411
BHIS418
BHIS486
BLYS341

site_idMCSA1
Number of Residues9
DetailsM-CSA 373
ChainResidueDetails
ALYS341electrostatic stabiliser
AARG349electrostatic stabiliser
AHIS411electrostatic stabiliser, increase acidity, increase basicity
ASER416electrostatic stabiliser
AGLY417electrostatic stabiliser
AHIS418electrostatic stabiliser
AARG480electrostatic stabiliser
AHIS486activator, metal ligand
AASP490activator

site_idMCSA2
Number of Residues9
DetailsM-CSA 374
ChainResidueDetails
ALYS341electrostatic stabiliser
AARG349electrostatic stabiliser
AHIS411increase basicity, increase electrophilicity
ASER416electrostatic stabiliser
AGLY417electrostatic stabiliser
AHIS418electrostatic stabiliser
AARG480electrostatic stabiliser
AHIS486activator, metal ligand
AASP490activator

site_idMCSA3
Number of Residues9
DetailsM-CSA 386
ChainResidueDetails
ALYS341electrostatic stabiliser
AARG349electrostatic stabiliser
AHIS411electrostatic stabiliser, increase acidity, increase basicity
ASER416electrostatic stabiliser
AGLY417electrostatic stabiliser
AHIS418electrostatic stabiliser
AARG480electrostatic stabiliser
AHIS486activator, electrostatic stabiliser, metal ligand
AASP490activator

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PDB entries from 2024-07-24

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