2BGN

HIV-1 Tat protein derived N-terminal nonapeptide Trp2-Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	DIPEPTIDYL PEPTIDASE IV	polymer	728	84462.6	4	UniProt (P27487) Pfam (PF00930) Pfam (PF00326) In PDB	HOMO SAPIENS (HUMAN)	DPP IV, T-CELL ACTIVATION ANTIGEN CD26, TP103, ADENOSINE DEAMINASE COMPLEXING PROTEIN-2, ADABP
2	E, F, G, H	ADENOSINE DEAMINASE	polymer	363	41089.6	4	UniProt (P56658) Pfam (PF00962) In PDB	BOS TAURUS (BOVINE)	ADENOSINE AMINOHYDROLASE
3	W, X, Y, Z	TAT PROTEIN	polymer	9	1100.2	4	UniProt (P12506) In PDB	HUMAN IMMUNODEFICIENCY VIRUS TYPE 1	TRANSACTIVATING REGULATORY PROTEIN
4	I, R	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G28454KX)
5	b, d, J, K, M...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	10	In PDB GlyTouCan (G42666HT)
6	c, L, P, U	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	4	In PDB GlyTouCan (G81315DD)
7	a, N	beta-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	2	In PDB GlyTouCan (G61843VN)
8	A, B, C, D	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	14	Chemie (NAG)
9	E, F, G, H	ZINC ION	non-polymer		65.4	4	Chemie (ZN)

Sequence modifications

E, F, G, H: 1 - 1 (PDB: 2BGN)
E, F, G, H: 2 - 363 (UniProt: P56658)

PDB	External Database	Details
Asp 8	Asn 7	conflict
Lys 32	Arg 31	conflict
Arg 33	Lys 32	conflict
Leu 47	Gln 46	conflict
Thr 57	Ser 56	conflict
Asp 60	Glu 59	conflict
Asp 77	Glu 76	conflict
Ile 79	Val 78	conflict
Gln 199	Lys 198	variant
Thr 246	Ala 245	variant
Ile 261	Val 260	conflict
Ala 279	Pro 278	conflict
Ile 281	Val 280	conflict
Lys 313	Asn 312	conflict
Asp 314	Glu 313	conflict
Arg 352	Gly 351	variant

W, X, Y, Z: 1 - 9 (UniProt: P12506)

PDB	External Database	Details
Trp 2	Asp 2	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	506609.8
Branched	Number of molecules	18
	Total formula weight	9114.5
Non-Polymers*	Number of molecules	18
	Total formula weight	3358.5
All*	Total formula weight	519082.9

*Water molecules are not included.