7AYM

Structure of DDR2 Kinase domain in complex with IBZ3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Discoidin domain-containing receptor 2,Epithelial discoidin domain-containing receptor 1	polymer	337	38627.8	1	UniProt (Q16832) UniProt (Q08345) Pfam (PF07714) In PDB	Homo sapiens (Human)	Discoidin domain receptor 2,CD167 antigen-like family member B,Discoidin domain-containing receptor tyrosine kinase 2,Neurotrophic tyrosine kinase,receptor-related 3,Receptor protein-tyrosine kinase TKT,Tyrosine-protein kinase TYRO10,Epithelial discoidin domain receptor 1,CD167 antigen-like family member A,Cell adhesion kinase,Discoidin receptor tyrosine kinase,HGK2,Mammary carcinoma kinase 10,MCK-10,Protein-tyrosine kinase 3A,Protein-tyrosine kinase RTK-6,TRK E,Tyrosine kinase DDR,Tyrosine-protein kinase CAK,
2	A	N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide	non-polymer		417.4	1	Chemie (4VD)
3		water	water		18.0	8	Chemie (HOH)

Sequence modifications

A: 558 - 669 (UniProt: Q16832)

PDB	External Database	Details
Met 530	-	initiating methionine
Gly 531	-	expression tag
Ser 532	-	expression tag
Ser 533	-	expression tag
His 534	-	expression tag
His 535	-	expression tag
His 536	-	expression tag
His 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag
Asp 540	-	expression tag
Tyr 541	-	expression tag
Asp 542	-	expression tag
Ile 543	-	expression tag
Pro 544	-	expression tag
Thr 545	-	expression tag
Thr 546	-	expression tag
Glu 547	-	expression tag
Asn 548	-	expression tag
Leu 549	-	expression tag
Tyr 550	-	expression tag
Phe 551	-	expression tag
Gln 552	-	expression tag
Gly 553	-	expression tag
Pro 554	-	expression tag
Arg 555	-	expression tag
Val 556	-	expression tag
Asp 557	-	expression tag

A: 670 - 689 (UniProt: Q08345)
A: 690 - 858 (UniProt: Q16832)

PDB	External Database	Details
Glu 835	Lys 826	engineered mutation
Arg 856	Leu 847	engineered mutation

A: 859 - 866 (UniProt: Q08345)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38627.8
Non-Polymers*	Number of molecules	1
	Total formula weight	417.4
All*	Total formula weight	39045.2

*Water molecules are not included.