6STD

SCYTALONE DEHYDRATASE PLUS INHIBITOR 3

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005575	cellular_component	cellular_component
A	0005768	cellular_component	endosome
A	0006582	biological_process	melanin metabolic process
A	0016829	molecular_function	lyase activity
A	0030411	molecular_function	scytalone dehydratase activity
A	0042438	biological_process	melanin biosynthetic process
A	0046872	molecular_function	metal ion binding
B	0005575	cellular_component	cellular_component
B	0005768	cellular_component	endosome
B	0006582	biological_process	melanin metabolic process
B	0016829	molecular_function	lyase activity
B	0030411	molecular_function	scytalone dehydratase activity
B	0042438	biological_process	melanin biosynthetic process
B	0046872	molecular_function	metal ion binding
C	0005575	cellular_component	cellular_component
C	0005768	cellular_component	endosome
C	0006582	biological_process	melanin metabolic process
C	0016829	molecular_function	lyase activity
C	0030411	molecular_function	scytalone dehydratase activity
C	0042438	biological_process	melanin biosynthetic process
C	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 501

Chain	Residue
A	GLU163
A	GLU163
A	ASP164
A	ASP164
A	HOH711
A	HOH711

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 502

Chain	Residue
A	HOH675
A	HOH685
A	HOH720
A	GLU163
A	ASP164
A	GLU167

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA B 501

Chain	Residue
B	ARG51
B	ASP55
B	GLU59
B	HOH727
B	HOH728

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA C 501

Chain	Residue
C	ARG51
C	ASP55
C	GLU59
C	HOH669
C	HOH694

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 502

Chain	Residue
C	ASP171
C	HOH632
C	HOH650
C	HOH665
C	HOH753
C	HOH757

---

site_id	AC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE MS2 B 600

Chain	Residue
B	TRP26
B	TYR50
B	PHE53
B	VAL75
B	LEU76
B	ASN131
B	ILE151
B	PHE158
B	GLY165
B	HOH603
B	HOH620

---

site_id	AC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE MS2 A 601

Chain	Residue
A	TRP26
A	TYR50
A	PHE53
A	VAL75
A	LEU76
A	VAL108
A	ASN131
A	ILE151
A	PHE158
A	GLY165
A	HOH602
A	HOH621

---

site_id	AC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE MS2 C 602

Chain	Residue
C	TYR50
C	PHE53
C	VAL75
C	LEU76
C	ASN131
C	ILE151
C	PHE158
C	PHE162
C	GLY165
C	HOH607
C	HOH615

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE: ACT_SITE => ECO:0000305|PubMed:7866745

Chain	Residue	Details
A	HIS85
A	HIS110
B	HIS85
B	HIS110
C	HIS85
C	HIS110

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: BINDING => ECO:0000305|PubMed:9922139

Chain	Residue	Details
A	TYR30
B	TYR30
C	TYR30

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	BINDING: BINDING => ECO:0000305|PubMed:9665698

Chain	Residue	Details
A	TYR50
B	TYR50
C	TYR50

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	BINDING: BINDING => ECO:0000305|PubMed:10382670

Chain	Residue	Details
A	PHE53
B	PHE53
C	PHE53

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	BINDING: BINDING => ECO:0000305|PubMed:10382670, ECO:0000305|PubMed:7866745, ECO:0000305|PubMed:9922139

Chain	Residue	Details
A	ASN131
B	ASN131
C	ASN131

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 910

Chain	Residue	Details
A	TYR30	modifies pKa
A	ASP31	modifies pKa
A	TYR50	proton acceptor, proton donor
A	HIS85	proton acceptor, proton donor
A	HIS110	electrostatic stabiliser

---

site_id	MCSA2
Number of Residues	5
Details	M-CSA 910

Chain	Residue	Details
B	TYR30	modifies pKa
B	ASP31	modifies pKa
B	TYR50	proton acceptor, proton donor
B	HIS85	proton acceptor, proton donor
B	HIS110	electrostatic stabiliser

---

site_id	MCSA3
Number of Residues	5
Details	M-CSA 910

Chain	Residue	Details
C	TYR30	modifies pKa
C	ASP31	modifies pKa
C	TYR50	proton acceptor, proton donor
C	HIS85	proton acceptor, proton donor
C	HIS110	electrostatic stabiliser

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