5HU9

Crystal structure of ABL1 in complex with CHMFL-074

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0004713	molecular_function	protein tyrosine kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	binding site for residue 66K A 601

Chain	Residue
A	VAL270
A	GLU316
A	PHE317
A	MET318
A	GLY321
A	ILE360
A	HIS361
A	LEU370
A	VAL379
A	ALA380
A	ASP381
A	LYS271
A	PHE382
A	HOH868
A	GLU286
A	MET290
A	ILE293
A	LEU298
A	VAL299
A	ILE313
A	THR315

---

site_id	AC2
Number of Residues	13
Details	binding site for residue 66K A 602

Chain	Residue
A	MET226
A	PRO309
A	PHE311
A	ARG386
A	LEU387
A	MET388
A	ILE403
A	ALA412
A	TYR449
A	GLU453
A	HOH758
A	HOH760
A	HOH776

---

site_id	AC3
Number of Residues	5
Details	binding site for residue EDO A 603

Chain	Residue
A	TYR253
A	ASN322
A	ARG367
A	HIS396
A	HOH857

---

site_id	AC4
Number of Residues	5
Details	binding site for residue EDO A 604

Chain	Residue
A	GLU238
A	ARG457
A	ARG473
A	TRP476
A	GLN477

---

site_id	AC5
Number of Residues	3
Details	binding site for residue EDO A 605

Chain	Residue
A	MET244
A	TYR257
A	TYR312

---

site_id	AC6
Number of Residues	7
Details	binding site for residue EDO A 606

Chain	Residue
A	LYS234
A	TRP235
A	MET237
A	TRP261
A	LEU302
A	HOH739
A	HOH784

---

site_id	AC7
Number of Residues	4
Details	binding site for residue EDO A 607

Chain	Residue
A	ALA337
A	TYR435
A	HOH711
A	HOH728

---

site_id	AC8
Number of Residues	5
Details	binding site for residue EDO A 608

Chain	Residue
A	ASN336
A	GLU494
A	HOH705
A	HOH710
A	HOH736

---

site_id	AC9
Number of Residues	1
Details	binding site for residue EDO A 609

Chain	Residue
A	ALA492

---

site_id	AD1
Number of Residues	4
Details	binding site for residue EDO A 610

Chain	Residue
A	ILE360
A	PHE416
A	SER417
A	HOH805

---

site_id	AD2
Number of Residues	6
Details	binding site for residue EDO A 611

Chain	Residue
A	TYR326
A	GLU329
A	CYS330
A	EDO612
A	HOH791
A	HOH895

---

site_id	AD3
Number of Residues	6
Details	binding site for residue EDO A 612

Chain	Residue
A	TYR320
A	TYR326
A	GLU334
A	ASN374
A	EDO611
A	HOH815

---

site_id	AD4
Number of Residues	3
Details	binding site for residue EDO A 613

Chain	Residue
A	GLN498
A	HOH786
A	HOH836

---

site_id	AD5
Number of Residues	1
Details	binding site for residue EDO A 614

Chain	Residue
A	HOH702

---

site_id	AD6
Number of Residues	3
Details	binding site for residue CL A 615

Chain	Residue
A	LYS274
A	GLU275
A	ASP276

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGGGQYGEVYeGvwkkyslt..........VAVK

Chain	Residue	Details
A	LEU248-LYS271

---

site_id	PS00109
Number of Residues	13
Details	PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. FIHrDLAARNCLV

Chain	Residue	Details
A	PHE359-VAL371

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10028","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	15
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P42684","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P00520","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---