6U9M

MLL1 SET N3861I/Q3867L bound to inhibitor 16 (TC-5109)

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue ZN A 4001

Chain	Residue
A	CYS3909
A	CYS3957
A	CYS3959
A	CYS3964

---

site_id	AC2
Number of Residues	14
Details	binding site for residue Q2M A 4002

Chain	Residue
A	PHE3904
A	ASN3906
A	HIS3907
A	TYR3944
A	PRO3956
A	CYS3957
A	ASN3958
A	HOH4111
A	HOH4136
A	ILE3838
A	HIS3839
A	ARG3841
A	CYS3882
A	TYR3883

---

site_id	AC3
Number of Residues	4
Details	binding site for residue ZN B 4001

Chain	Residue
B	CYS3909
B	CYS3957
B	CYS3959
B	CYS3964

---

site_id	AC4
Number of Residues	10
Details	binding site for residue GOL B 4002

Chain	Residue
A	GLY3937
A	HOH4108
A	HOH4110
B	MET3816
B	ARG3819
B	LYS3870
B	LYS3873
B	ARG3916
B	HOH4103
B	HOH4123

---

site_id	AC5
Number of Residues	18
Details	binding site for residue Q2M B 4003

Chain	Residue
B	ILE3838
B	HIS3839
B	GLY3840
B	ARG3841
B	CYS3882
B	TYR3883
B	PHE3904
B	ASN3906
B	HIS3907
B	TYR3944
B	PRO3956
B	CYS3957
B	ASN3958
B	LEU3968
B	HOH4106
B	HOH4127
B	HOH4148
B	HOH4172

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	232
Details	Domain: {"description":"SET","evidences":[{"source":"PROSITE-ProRule","id":"PRU00190","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00190","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19187761","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26886794","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2W5Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F5E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F6L","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00190","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19187761","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26886794","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2W5Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F5E","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19187761","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26886794","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2W5Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F5E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F6L","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16990798","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19187761","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2W5Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2W5Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F5E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F6L","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16990798","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19187761","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2W5Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2W5Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F6L","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Modified residue: {"description":"S-methylcysteine; by autocatalysis","evidences":[{"source":"PubMed","id":"24235145","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---