4CDL

Crystal Structure of Retro-aldolase RA110.4-6 Complexed with Inhibitor 1-(6-methoxy-2-naphthalenyl)-1,3-butanedione

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004769	molecular_function	steroid delta-isomerase activity
A	0008202	biological_process	steroid metabolic process
A	0016853	molecular_function	isomerase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE LLK A 1128

Chain	Residue
A	ILE38
A	ARG118
A	HOH2037
A	GLU39
A	SER40
A	GLN44
A	PRO45
A	ILE47
A	HIS56
A	LYS88
A	TRP90

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton donor

Chain	Residue	Details
A	PHE16

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site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	SER40

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site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:11007792

Chain	Residue	Details
A	LEU103

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 349

Chain	Residue	Details
A	PHE16	proton acceptor, proton donor
A	SER40	proton acceptor, proton donor
A	ASP100	electrostatic stabiliser
A	LEU103	electrostatic stabiliser

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