4OC5

X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CHIBzL, a urea-based inhibitor N~2~-{[(S)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Glutamate carboxypeptidase 2	polymer	709	79859.0	1	UniProt (Q04609) Pfam (PF02225) Pfam (PF04389) Pfam (PF04253) In PDB	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, D	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
3	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)
4	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
5	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
7	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
8	A	N~2~-{[(S)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine	non-polymer		569.3	1	Chemie (2QM)
9		water	water		18.0	499	Chemie (HOH)

Sequence modifications

A: 44 - 750 (UniProt: Q04609)

PDB	External Database	Details
Arg 42	-	expression tag
Ser 43	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	79859.0
Branched	Number of molecules	4
	Total formula weight	2021.9
Non-Polymers*	Number of molecules	8
	Total formula weight	1439.3
All*	Total formula weight	83320.2

*Water molecules are not included.