4OME

X-ray structure of human glutamate carboxypeptidase II in complex with DCCBL, a urea based inhibitor with distal carborane moiety

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Glutamate carboxypeptidase 2	polymer	707	79614.8	1	UniProt (Q04609) Pfam (PF02225) Pfam (PF04389) Pfam (PF04253)	Homo sapiens (human)	Cell growth-inhibiting gene 27 protein, Folate hydrolase 1, Folylpoly-gamma-glutamate carboxypeptidase, FGCP, Glutamate carboxypeptidase II, GCPII, Membrane glutamate carboxypeptidase, mGCP, N-acetylated-alpha-linked acidic dipeptidase I, NAALADase I, Prostate-specific membrane antigen, PSM, PSMA, Pteroylpoly-gamma-glutamate carboxypeptidase
2	B, C (B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	D (D)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
4	E (E)	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G81315DD)
5	F, G, H (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
6	I, J (A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
7	K (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
8	L (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
9	M (A)	(S)-2-(3-((S)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid	non-polymer		489.5	1	Chemie (DGQ)
10	N (A)	water	water		18.0	574	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	79614.8
Branched	Number of molecules	4
	Total formula weight	2184.0
Non-Polymers*	Number of molecules	8
	Total formula weight	1359.5
All*	Total formula weight	83158.3

*Water molecules are not included.