3AD5

Crystal structure of Triazolone derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)

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	10
Details	BINDING SITE FOR RESIDUE SO4 A 510

Chain	Residue
A	HOH35
A	HOH572
A	HOH81
A	GLN298
A	ARG299
A	SER377
A	LYS379
A	TYR457
A	ARG458
A	HOH570

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 511

Chain	Residue
A	HOH99
A	TYR263
A	GLY266
A	HIS267
A	TYR489

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS A 512

Chain	Residue
A	TRP233
A	GLU239
A	THR308
A	GLN309

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MPD A 513

Chain	Residue
A	HOH90
A	HOH132
A	PRO403
A	ILE404
A	LYS405
A	ASN446
A	HOH517
A	HOH541
A	HOH582

---

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 5PB A 1

Chain	Residue
A	HOH25
A	HOH97
A	HOH137
A	HOH154
A	VAL259
A	ALA271
A	TYR318
A	MET319
A	GLU320
A	GLY322
A	LEU371

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	23
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGAGQFGEVWmGyynghtk...........VAVK

Chain	Residue	Details
A	LEU251-LYS273

---

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

Chain	Residue	Details
A	TYR360-VAL372

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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	ASP364

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159

Chain	Residue	Details
A	LEU251
A	LYS273

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:8139546

Chain	Residue	Details
A	PTR394

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site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphotyrosine; by CSK => ECO:0000269|PubMed:1639064, ECO:0000269|PubMed:8139546, ECO:0000269|PubMed:8631775, ECO:0007744|PubMed:15592455, ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19369195, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:21406692

Chain	Residue	Details
A	TYR505

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