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3HEJ

Crystal structure of Staphylococcal nuclease variant Delta+PHS T62R at cryogenic temperature

Functional Information from GO Data
ChainGOidnamespacecontents
A0003676molecular_functionnucleic acid binding
A0004518molecular_functionnuclease activity
B0003676molecular_functionnucleic acid binding
B0004518molecular_functionnuclease activity
C0003676molecular_functionnucleic acid binding
C0004518molecular_functionnuclease activity
D0003676molecular_functionnucleic acid binding
D0004518molecular_functionnuclease activity
Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE THP A 150
ChainResidue
AARG35
AHOH166
AHOH200
AHOH203
AHOH232
AHOH245
ALYS84
ATYR85
AARG87
ALEU89
ATYR113
AHOH155
AHOH159
AHOH160

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE THP B 150
ChainResidue
BARG35
BHOH45
BLYS84
BTYR85
BARG87
BLEU89
BTYR113
BHOH153
BHOH154
BHOH163
BHOH164
BHOH178
BHOH208
BHOH209

site_idAC3
Number of Residues14
DetailsBINDING SITE FOR RESIDUE THP C 150
ChainResidue
CARG35
CLYS84
CTYR85
CARG87
CLEU89
CTYR113
CHOH152
CHOH158
CHOH179
CHOH195
CHOH200
CHOH228
CHOH267
CHOH296

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE THP D 150
ChainResidue
DARG35
DLYS84
DTYR85
DARG87
DLEU89
DHOH155
DHOH159
DHOH161
DHOH191
DHOH231

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MRD B 151
ChainResidue
BGLN80
BLYS116
BASN118
DGLN106

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MPD A 151
ChainResidue
AGLN80
ATYR115
ALYS116
AASN118
AHOH238
CGLN106
CLEU137

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL C 151
ChainResidue
BMET26
CTHR13
CHOH221
CHOH223

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 152
ChainResidue
ALYS116
AHOH212
AHOH213
AHOH215
CHOH215

Functional Information from PROSITE/UniProt
site_idPS01123
Number of Residues25
DetailsTNASE_1 Thermonuclease family signature 1. DGDTVkLmykgqpmtf.RLllVDtPE
ChainResidueDetails
AASP19-GLU43

site_idPS01284
Number of Residues11
DetailsTNASE_2 Thermonuclease family signature 2. DKYGRgLAyIY
ChainResidueDetails
AASP83-TYR93

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues12
DetailsACT_SITE: ACT_SITE => ECO:0000269|PubMed:288045
ChainResidueDetails
AARG35
AGLU43
ATYR93
DARG35
DGLU43
DTYR93
BGLU43
BTYR93
CARG35
CGLU43
CTYR93
BARG35

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING:
ChainResidueDetails
AASP21
AASP40
BTHR41
CASP21
CASP40
CTHR41
ATHR41
DASP21
DASP40
DTHR41
BASP21
BASP40

Catalytic Information from CSA
site_idMCSA1
Number of Residues6
DetailsM-CSA 165
ChainResidueDetails
AASP21metal ligand
AARG35electrostatic stabiliser, hydrogen bond donor
AASP40metal ligand
ATHR41metal ligand
AGLU43hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
ATYR93electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_idMCSA2
Number of Residues6
DetailsM-CSA 165
ChainResidueDetails
DASP21metal ligand
DARG35electrostatic stabiliser, hydrogen bond donor
DASP40metal ligand
DTHR41metal ligand
DGLU43hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
DTYR93electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_idMCSA3
Number of Residues6
DetailsM-CSA 165
ChainResidueDetails
BASP21metal ligand
BARG35electrostatic stabiliser, hydrogen bond donor
BASP40metal ligand
BTHR41metal ligand
BGLU43hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
BTYR93electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_idMCSA4
Number of Residues6
DetailsM-CSA 165
ChainResidueDetails
CASP21metal ligand
CARG35electrostatic stabiliser, hydrogen bond donor
CASP40metal ligand
CTHR41metal ligand
CGLU43hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
CTYR93electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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PDB entries from 2024-06-12

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