2STD

SCYTALONE DEHYDRATASE COMPLEXED WITH TIGHT-BINDING INHIBITOR CARPROPAMID

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 180

Chain	Residue
A	ARG107
A	ARG107
A	PRO109
A	HIS126
A	HIS126
A	HIS128

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site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE CRP A 175

Chain	Residue
A	LEU76
A	VAL108
A	ASN131
A	PHE158
A	HOH275
A	HOH276
A	TRP26
A	TYR50
A	VAL75

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: ACT_SITE => ECO:0000305|PubMed:7866745

Chain	Residue	Details
A	HIS85
A	HIS110

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site_id	SWS_FT_FI2
Number of Residues	1
Details	BINDING: BINDING => ECO:0000305|PubMed:9922139

Chain	Residue	Details
A	TYR30

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site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: BINDING => ECO:0000305|PubMed:9665698

Chain	Residue	Details
A	TYR50

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0000305|PubMed:10382670

Chain	Residue	Details
A	PHE53

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site_id	SWS_FT_FI5
Number of Residues	1
Details	BINDING: BINDING => ECO:0000305|PubMed:10382670, ECO:0000305|PubMed:7866745, ECO:0000305|PubMed:9922139

Chain	Residue	Details
A	ASN131

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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

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