5LBA

Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003676	molecular_function	nucleic acid binding
A	0004386	molecular_function	helicase activity
A	0005524	molecular_function	ATP binding
A	0006310	biological_process	DNA recombination
B	0003676	molecular_function	nucleic acid binding
B	0004386	molecular_function	helicase activity
B	0005524	molecular_function	ATP binding
B	0006310	biological_process	DNA recombination
C	0003676	molecular_function	nucleic acid binding
C	0004386	molecular_function	helicase activity
C	0005524	molecular_function	ATP binding
C	0006310	biological_process	DNA recombination
D	0003676	molecular_function	nucleic acid binding
D	0004386	molecular_function	helicase activity
D	0005524	molecular_function	ATP binding
D	0006310	biological_process	DNA recombination

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue MG B 501

Chain	Residue
B	ADP503
B	HOH607
B	HOH634
B	HOH646

---

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN B 502

Chain	Residue
B	CYS411
B	CYS427
B	CYS431
B	CYS434

---

site_id	AC3
Number of Residues	18
Details	binding site for residue ADP B 503

Chain	Residue
B	SER28
B	PHE29
B	LYS30
B	GLN34
B	THR54
B	GLY55
B	ALA56
B	GLY57
B	LYS58
B	SER59
B	LEU60
B	MG501
B	HOH622
B	HOH633
B	HOH634
B	HOH646
B	HOH652
B	PHE26

---

site_id	AC4
Number of Residues	4
Details	binding site for residue DMS B 504

Chain	Residue
B	ILE263
B	TYR265
B	ILE317
B	PHE319

---

site_id	AC5
Number of Residues	8
Details	binding site for residue 6SV B 505

Chain	Residue
B	ALA193
B	THR194
B	ALA195
B	TYR344
B	GLN345
B	PHE420
B	HOH630
B	HOH660

---

site_id	AC6
Number of Residues	6
Details	binding site for residue MG A 501

Chain	Residue
A	ASP157
A	ADP502
A	HOH601
A	HOH616
A	HOH637
A	HOH646

---

site_id	AC7
Number of Residues	15
Details	binding site for residue ADP A 502

Chain	Residue
A	PHE26
A	SER28
A	PHE29
A	LYS30
A	GLN34
A	THR54
A	GLY55
A	ALA56
A	GLY57
A	LYS58
A	SER59
A	MG501
A	HOH601
A	HOH616
A	HOH650

---

site_id	AC8
Number of Residues	4
Details	binding site for residue ZN A 503

Chain	Residue
A	CYS411
A	CYS427
A	CYS431
A	CYS434

---

site_id	AC9
Number of Residues	3
Details	binding site for residue DMS A 504

Chain	Residue
A	ALA193
A	ALA195
A	PHE420

---

site_id	AD1
Number of Residues	3
Details	binding site for residue MG C 501

Chain	Residue
C	ASP157
C	ADP503
C	HOH610

---

site_id	AD2
Number of Residues	4
Details	binding site for residue ZN C 502

Chain	Residue
C	CYS411
C	CYS427
C	CYS431
C	CYS434

---

site_id	AD3
Number of Residues	13
Details	binding site for residue ADP C 503

Chain	Residue
C	PHE26
C	SER28
C	PHE29
C	LYS30
C	GLN34
C	GLY55
C	ALA56
C	GLY57
C	LYS58
C	SER59
C	MG501
C	HOH610
C	HOH657

---

site_id	AD4
Number of Residues	4
Details	binding site for residue MG D 501

Chain	Residue
D	ASP157
D	ADP503
D	HOH621
D	HOH631

---

site_id	AD5
Number of Residues	4
Details	binding site for residue ZN D 502

Chain	Residue
D	CYS411
D	CYS427
D	CYS431
D	CYS434

---

site_id	AD6
Number of Residues	17
Details	binding site for residue ADP D 503

Chain	Residue
D	PRO53
D	GLY55
D	ALA56
D	GLY57
D	LYS58
D	SER59
D	MG501
D	HOH612
D	HOH621
D	HOH631
D	HOH640
D	HOH646
D	PHE26
D	SER28
D	PHE29
D	LYS30
D	GLN34

---

site_id	AD7
Number of Residues	5
Details	binding site for residue DMS D 504

Chain	Residue
D	ILE263
D	TYR265
D	ILE317
D	SER318
D	PHE319

---

Functional Information from PROSITE/UniProt

site_id	PS00690
Number of Residues	10
Details	DEAH_ATP_HELICASE DEAH-box subfamily ATP-dependent helicases signature. SyLVVDEAHC

Chain	Residue	Details
B	SER152-CYS161

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	696
Details	Domain: {"description":"Helicase ATP-binding","evidences":[{"source":"PROSITE-ProRule","id":"PRU00541","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	Motif: {"description":"DEAH box"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"28100692","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"5LB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LB5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LBA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PDB","id":"5LB5","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"28100692","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5LB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LB5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LB8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LBA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"28100692","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5LB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LB5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LBA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---