5MO4

ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein 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	20
Details	binding site for residue NIL A 601

Chain	Residue
A	TYR272
A	ILE332
A	ILE334
A	PHE336
A	MET337
A	PHE378
A	HIS380
A	LEU389
A	ALA399
A	ASP400
A	PHE401
A	ALA288
A	HOH872
A	LYS290
A	GLU305
A	VAL308
A	MET309
A	ILE312
A	LEU317
A	VAL318

---

site_id	AC2
Number of Residues	17
Details	binding site for residue AY7 A 602

Chain	Residue
A	ALA356
A	LEU359
A	LEU360
A	ALA363
A	LEU448
A	ILE451
A	ALA452
A	THR453
A	GLU481
A	VAL487
A	PHE512
A	ILE521
A	VAL525
A	HOH715
A	HOH768
A	HOH866
A	HOH874

---

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	LEU267-LYS290

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028

Chain	Residue	Details
A	ASN382

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING:

Chain	Residue	Details
A	LEU267
A	LYS290
A	GLU335

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0000269|PubMed:16543148, ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19690332

Chain	Residue	Details
A	SER69

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:16912036, ECO:0000269|PubMed:18775435

Chain	Residue	Details
A	TYR89

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	MOD_RES: Phosphotyrosine => ECO:0000269|PubMed:16912036

Chain	Residue	Details
A	TYR134
A	TYR147
A	TYR158
A	TYR191
A	TYR204
A	TYR234

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:16912036

Chain	Residue	Details
A	TYR245

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P42684

Chain	Residue	Details
A	SER248

---

site_id	SWS_FT_FI8
Number of Residues	3
Details	MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	TYR272
A	TYR276
A	TYR432

---

site_id	SWS_FT_FI9
Number of Residues	1
Details	MOD_RES: Phosphotyrosine; by autocatalysis and SRC-type Tyr-kinases => ECO:0000269|PubMed:16912036

Chain	Residue	Details
A	TYR412

---

site_id	SWS_FT_FI10
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P00520

Chain	Residue	Details
A	SER465

---