3HEJ

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003676	molecular_function	nucleic acid binding
A	0004518	molecular_function	nuclease activity
B	0003676	molecular_function	nucleic acid binding
B	0004518	molecular_function	nuclease activity
C	0003676	molecular_function	nucleic acid binding
C	0004518	molecular_function	nuclease activity
D	0003676	molecular_function	nucleic acid binding
D	0004518	molecular_function	nuclease activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE THP A 150

Chain	Residue
A	ARG35
A	HOH166
A	HOH200
A	HOH203
A	HOH232
A	HOH245
A	LYS84
A	TYR85
A	ARG87
A	LEU89
A	TYR113
A	HOH155
A	HOH159
A	HOH160

---

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE THP B 150

Chain	Residue
B	ARG35
B	HOH45
B	LYS84
B	TYR85
B	ARG87
B	LEU89
B	TYR113
B	HOH153
B	HOH154
B	HOH163
B	HOH164
B	HOH178
B	HOH208
B	HOH209

---

site_id	AC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE THP C 150

Chain	Residue
C	ARG35
C	LYS84
C	TYR85
C	ARG87
C	LEU89
C	TYR113
C	HOH152
C	HOH158
C	HOH179
C	HOH195
C	HOH200
C	HOH228
C	HOH267
C	HOH296

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE THP D 150

Chain	Residue
D	ARG35
D	LYS84
D	TYR85
D	ARG87
D	LEU89
D	HOH155
D	HOH159
D	HOH161
D	HOH191
D	HOH231

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MRD B 151

Chain	Residue
B	GLN80
B	LYS116
B	ASN118
D	GLN106

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MPD A 151

Chain	Residue
A	GLN80
A	TYR115
A	LYS116
A	ASN118
A	HOH238
C	GLN106
C	LEU137

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 151

Chain	Residue
B	MET26
C	THR13
C	HOH221
C	HOH223

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 152

Chain	Residue
A	LYS116
A	HOH212
A	HOH213
A	HOH215
C	HOH215

---

Functional Information from PROSITE/UniProt

site_id	PS01123
Number of Residues	25
Details	TNASE_1 Thermonuclease family signature 1. DGDTVkLmykgqpmtf.RLllVDtPE

Chain	Residue	Details
A	ASP19-GLU43

---

site_id	PS01284
Number of Residues	11
Details	TNASE_2 Thermonuclease family signature 2. DKYGRgLAyIY

Chain	Residue	Details
A	ASP83-TYR93

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	64
Details	Compositional bias: {"description":"Basic and acidic residues","evidences":[{"source":"SAM","id":"MobiDB-lite","evidenceCode":"ECO:0000256"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	Active site: {"evidences":[{"source":"PubMed","id":"288045","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	Binding site: {}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	6
Details	M-CSA 165

Chain	Residue	Details
A	ASP21	metal ligand
A	ARG35	electrostatic stabiliser, hydrogen bond donor
A	ASP40	metal ligand
A	THR41	metal ligand
A	GLU43	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ARG87	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

---

site_id	MCSA2
Number of Residues	6
Details	M-CSA 165

Chain	Residue	Details
B	ASP21	metal ligand
B	ARG35	electrostatic stabiliser, hydrogen bond donor
B	ASP40	metal ligand
B	THR41	metal ligand
B	GLU43	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	ARG87	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

---

site_id	MCSA3
Number of Residues	6
Details	M-CSA 165

Chain	Residue	Details
C	ASP21	metal ligand
C	ARG35	electrostatic stabiliser, hydrogen bond donor
C	ASP40	metal ligand
C	THR41	metal ligand
C	GLU43	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	ARG87	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

---

site_id	MCSA4
Number of Residues	6
Details	M-CSA 165

Chain	Residue	Details
D	ASP21	metal ligand
D	ARG35	electrostatic stabiliser, hydrogen bond donor
D	ASP40	metal ligand
D	THR41	metal ligand
D	GLU43	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	ARG87	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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