6RXR

Crystal structure of CobB Ac2 (A76G, I131C, V162G) in complex with H4K16Cr-2'OH-ADPr peptide intermediate after co-crystallisation

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0036054	molecular_function	protein-malonyllysine demalonylase activity
A	0036055	molecular_function	protein-succinyllysine desuccinylase activity
A	0070403	molecular_function	NAD+ binding
B	0036054	molecular_function	protein-malonyllysine demalonylase activity
B	0036055	molecular_function	protein-succinyllysine desuccinylase activity
B	0070403	molecular_function	NAD+ binding
C	0036054	molecular_function	protein-malonyllysine demalonylase activity
C	0036055	molecular_function	protein-succinyllysine desuccinylase activity
C	0070403	molecular_function	NAD+ binding
D	0036054	molecular_function	protein-malonyllysine demalonylase activity
D	0036055	molecular_function	protein-succinyllysine desuccinylase activity
D	0070403	molecular_function	NAD+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	38
Details	binding site for Di-peptide KMQ E 101 and LYS E 16

Chain	Residue
A	GLY48
A	HIS147
A	VAL187
A	VAL188
A	TRP189
A	PHE190
A	GLY191
A	GLU192
A	GLY214
A	THR215
A	SER216
A	ALA49
A	VAL219
A	TYR220
A	ASN240
A	LEU241
A	GLU242
A	PRO257
A	ALA258
A	HOH306
A	HOH312
A	HOH317
A	GLY50
A	HOH318
E	ALA15
E	ARG17
E	HOH204
E	HOH207
E	HOH208
E	HOH209
E	HOH210
E	HOH211
A	ALA53
A	GLU54
A	PHE60
A	TRP67
A	GLN129
A	CYS131

---

site_id	AC2
Number of Residues	35
Details	binding site for Di-peptide KMQ F 101 and LYS F 16

Chain	Residue
B	GLY48
B	ALA49
B	GLY50
B	ALA53
B	GLU54
B	PHE60
B	TRP67
B	GLN129
B	CYS131
B	HIS147
B	VAL187
B	VAL188
B	PHE190
B	GLY191
B	GLU192
B	GLY214
B	THR215
B	SER216
B	VAL219
B	TYR220
B	ASN240
B	LEU241
B	GLU242
B	ALA258
B	HOH318
B	HOH323
B	HOH384
F	ALA15
F	ARG17
F	HOH203
F	HOH205
F	HOH208
F	HOH210
F	HOH212
F	HOH213

---

site_id	AC3
Number of Residues	36
Details	binding site for Di-peptide KMQ G 101 and LYS G 16

Chain	Residue
C	HOH313
C	HOH316
C	HOH318
G	ALA15
G	ARG17
G	HOH202
G	HOH203
G	HOH206
G	HOH208
G	HOH209
C	GLY48
C	ALA49
C	GLY50
C	ALA53
C	GLU54
C	PHE60
C	TRP67
C	GLN129
C	CYS131
C	HIS147
C	VAL187
C	VAL188
C	TRP189
C	PHE190
C	GLY191
C	GLU192
C	GLY214
C	THR215
C	SER216
C	VAL219
C	TYR220
C	ASN240
C	LEU241
C	GLU242
C	PRO257
C	ALA258

---

site_id	AC4
Number of Residues	35
Details	binding site for Di-peptide KMQ H 101 and LYS H 16

Chain	Residue
D	GLY48
D	ALA49
D	GLY50
D	ALA53
D	GLU54
D	PHE60
D	TRP67
D	GLN129
D	CYS131
D	HIS147
D	VAL187
D	VAL188
D	TRP189
D	PHE190
D	GLY191
D	GLU192
D	GLY214
D	THR215
D	SER216
D	VAL219
D	TYR220
D	ASN240
D	LEU241
D	GLU242
D	ALA258
D	HOH317
D	HOH318
D	HOH387
H	ALA15
H	ARG17
H	HOH202
H	HOH205
H	HOH207
H	HOH209
H	HOH210

---

Functional Information from PROSITE/UniProt

site_id	PS00047
Number of Residues	5
Details	HISTONE_H4 Histone H4 signature. GAKRH

Chain	Residue	Details
E	GLY14-HIS18

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	DNA_BIND:

Chain	Residue	Details
E	LYS16-LYS20
F	LYS16-LYS20
G	LYS16-LYS20
H	LYS16-LYS20

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	MOD_RES: N6-methyllysine; alternate => ECO:0000269|PubMed:22343720

Chain	Residue	Details
A	ALA258
B	GLY48
B	GLN129
B	GLY214
B	ASN240
B	ALA258
C	GLY48
C	GLN129
C	GLY214
C	ASN240
C	ALA258
D	GLY48
D	GLN129
D	GLY214
D	ASN240
D	ALA258
E	LYS12
F	LYS12
G	LYS12
H	LYS12

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:11080160, ECO:0000269|PubMed:15150415, ECO:0000269|PubMed:17289592, ECO:0000269|PubMed:19113941

Chain	Residue	Details
E	LYS16
F	LYS16
G	LYS16
H	LYS16
C	TYR92
C	ARG95
D	TYR92
D	ARG95

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01121, ECO:0000269|PubMed:15019790

Chain	Residue	Details
A	CYS155
A	CYS174
B	CYS155
B	CYS174
C	CYS155
C	CYS174
D	CYS155
D	CYS174

---