4KR0

Complex structure of MERS-CoV spike RBD bound to CD26

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Dipeptidyl peptidase 4	polymer	739	85776.0	1	UniProt (P27487) Pfam (PF00930) Pfam (PF00326)	Homo sapiens (human)	ADCP-2, Dipeptidyl peptidase IV, DPP IV, T-cell activation antigen CD26, TP103, Dipeptidyl peptidase 4 soluble form, Dipeptidyl peptidase IV soluble form
2	B (B)	S protein	polymer	251	27599.0	1	UniProt (K0BRG7) Pfam (PF09408)	Human betacoronavirus 2c EMC/2012
3	C, D, F, G (C, D, F, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
4	E (E)	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)
5	H, I (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
6	J, K (A, B)	water	water		18.0	194	Chemie (HOH)

Sequence modifications

A: 39 - 766 (UniProt: P27487)

PDB	External Database	Details
Ala 34	-	expression tag
Asp 35	-	expression tag
Gly 36	-	expression tag
Ile 37	-	expression tag
Gln 38	-	expression tag
His 767	-	expression tag
His 768	-	expression tag
His 769	-	expression tag
His 770	-	expression tag
His 771	-	expression tag
His 772	-	expression tag

B: 367 - 606 (UniProt: K0BRG7)

PDB	External Database	Details
Ala 362	-	expression tag
Asp 363	-	expression tag
Gly 364	-	expression tag
Ile 365	-	expression tag
Gln 366	-	expression tag
His 607	-	expression tag
His 608	-	expression tag
His 609	-	expression tag
His 610	-	expression tag
His 611	-	expression tag
His 612	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	113375.0
Branched	Number of molecules	5
	Total formula weight	2284.1
Non-Polymers*	Number of molecules	2
	Total formula weight	442.4
All*	Total formula weight	116101.5

*Water molecules are not included.