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3U96

Crystal Structure of YopHQ357F(Catalytic Domain, Residues 163-468) in complex with pNCS

Functional Information from GO Data
ChainGOidnamespacecontents
A0004725molecular_functionprotein tyrosine phosphatase activity
A0006470biological_processprotein dephosphorylation
A0016311biological_processdephosphorylation
B0004725molecular_functionprotein tyrosine phosphatase activity
B0006470biological_processprotein dephosphorylation
B0016311biological_processdephosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE CSN A 1
ChainResidue
APHE229
AHOH481
AHOH483
ACYS403
AARG404
AALA405
AGLY406
AVAL407
AGLY408
AARG409
AGLN446

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 469
ChainResidue
AARG278
ALYS342
ASER388
ASER389
AHOH513

site_idAC3
Number of Residues14
DetailsBINDING SITE FOR RESIDUE CSN B 1
ChainResidue
APHE357
BHOH72
BPHE229
BILE232
BASP356
BPHE357
BCYS403
BARG404
BALA405
BGLY406
BVAL407
BGLY408
BARG409
BGLN446

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 2
ChainResidue
BARG278
BLYS342
BSER388
BSER389
BALA390

Functional Information from PROSITE/UniProt
site_idPS00383
Number of Residues11
DetailsTYR_PHOSPHATASE_1 Tyrosine specific protein phosphatases active site. IHCraGvgRTA
ChainResidueDetails
AILE401-ALA411

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Phosphocysteine intermediate
ChainResidueDetails
ACYS403
BCYS403

Catalytic Information from CSA
site_idMCSA1
Number of Residues7
DetailsM-CSA 47
ChainResidueDetails
AGLU290steric role
ATRP354steric role
AASP356hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
AHIS402electrostatic stabiliser, hydrogen bond donor
ACYS403nucleofuge, nucleophile
AARG409electrostatic stabiliser, hydrogen bond donor
ATHR410electrostatic stabiliser, hydrogen bond donor

site_idMCSA2
Number of Residues7
DetailsM-CSA 47
ChainResidueDetails
BGLU290steric role
BTRP354steric role
BASP356hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
BHIS402electrostatic stabiliser, hydrogen bond donor
BCYS403nucleofuge, nucleophile
BARG409electrostatic stabiliser, hydrogen bond donor
BTHR410electrostatic stabiliser, hydrogen bond donor

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PDB entries from 2024-07-24

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