3PE3

structure of human o-glcnac transferase and its complex with a peptide substrate

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 88
  • Norm. En. per Res.: -1.5659
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-14.1694	0.0	-113.017	-127.1864	86	2	2	5979	0	12	12
A-C	-12.2117	1.087	-107.159	-118.2837	88	11	2	6200	0	12	11
A-D	-12.2058	11.7036	-94.1319	-94.6342	75	3	0	4958	1	28	24
B-C	-24.3664	1.1036	-114.537	-137.7998	88	11	2	6270	0	12	12
C-D	0.0	4.4375	-0.2839	4.1536	8	0	0	47	0	6	8

Interface residues

• A-B: ALA317B, ALA385B, ALA404A, ALA411A, ALA411B, ALA417B, ALA426A, ALA440A, ALA799A, ALA807A, ALA808A, ALA896A, ARG379B, ARG410A, ARG410B, ASN322B, ASN415B, ASN434A, ASN557A, ASN804A, ASN805A, ASP318B, ASP400A, ASP431A, ASP587A, CYS313B, GLN399A, GLN402A, GLN406A, GLN413A, GLN413B, GLN802A, GLU437A, GLU811A, GLU899A, GLY403A, GLY433A, GLY588A, GLY810A, HIS316B, HIS422A, HIS429A, ILE326B, ILE378B, ILE380B, ILE412A, ILE412B, ILE414A, ILE414B, ILE428A, ILE785A, ILE803A, LEU320B, LEU323B, LEU405A, LEU425A, LEU798A, LYS430A, LYS806A, LYS898A, PHE347B, PHE384B, PHE418B, PRO314B, PRO382B, PRO416B, PRO436A, PRO897A, SER312B, SER319B, SER381B, SER427A, SER432A, SER441A, THR315B, THR383B, THR409A, THR409B, THR444A, THR589A, THR801A, THR809A, TYR388B, TYR408A, VAL346B, VAL401A
• A-C: ALA317A, ALA385A, ALA404C, ALA411A, ALA411C, ALA417A, ALA426C, ALA438C, ALA440C, ALA799C, ALA807C, ALA808C, ALA896C, ARG379A, ARG410A, ARG410C, ASN322A, ASN415A, ASN434C, ASN557C, ASN804C, ASN805C, ASP318A, ASP386A, ASP400C, ASP431C, ASP587C, CYS313A, CYS407C, GLN399C, GLN402C, GLN406C, GLN413A, GLN413C, GLN802C, GLU437C, GLU811C, GLU899C, GLY403C, GLY433C, GLY588C, GLY810C, HIS316A, HIS422C, HIS429C, ILE326A, ILE378A, ILE380A, ILE412A, ILE412C, ILE414A, ILE414C, ILE428C, ILE785C, ILE803C, LEU320A, LEU323A, LEU405C, LEU425C, LYS430C, LYS806C, LYS898C, PHE384A, PHE418A, PRO314A, PRO382A, PRO416A, PRO436C, PRO897C, SER312A, SER319A, SER381A, SER427C, SER432C, SER441C, THR315A, THR383A, THR409A, THR409C, THR444C, THR589C, THR800C, THR801C, THR809C, TYR388A, TYR408C, VAL346A, VAL401C
• A-D: ALA484A, ALA512A, ALA661A, ALA831D, ALA880D, ARG491A, ARG510A, ARG516A, ARG644A, ARG857D, ARG889D, ASN490A, ASN519A, ASN853D, ASN860D, ASN882D, ASN888D, ASP1024A, ASP485A, ASP665A, ASP830D, ASP968D, ASP976D, GLN330A, GLN486A, GLN681A, GLN849D, GLN877D, GLN878D, GLN881D, GLN887D, GLN964D, GLU488A, GLU515A, GLU677A, GLU680A, GLU684A, GLU829D, GLY508A, GLY660A, GLY884D, GLY974D, HIS1025A, HIS507A, ILE513A, ILE854D, LEU487A, LEU522A, LEU662A, LEU855D, LEU885D, LYS1022A, LYS489A, LYS511A, LYS685A, LYS856D, LYS972D, MET664A, MET883D, PHE509A, PRO1023A, PRO828D, PRO859D, PRO874D, PRO886D, SER506A, SER683A, SER861D, THR975D, TYR682A, VAL483A, VAL678A, VAL858D, VAL862D, VAL971D
• B-C: ALA317C, ALA385C, ALA404B, ALA411B, ALA411C, ALA417C, ALA426B, ALA440B, ALA799B, ALA807B, ALA808B, ALA896B, ARG379C, ARG410B, ARG410C, ASN322C, ASN415C, ASN434B, ASN557B, ASN804B, ASN805B, ASP318C, ASP400B, ASP431B, ASP587B, CYS313C, CYS407B, GLN399B, GLN402B, GLN406B, GLN413B, GLN413C, GLN802B, GLU437B, GLU811B, GLU899B, GLY403B, GLY433B, GLY588B, GLY810B, HIS316C, HIS422B, HIS429B, ILE326C, ILE378C, ILE380C, ILE412B, ILE412C, ILE414B, ILE414C, ILE428B, ILE785B, ILE803B, LEU320C, LEU323C, LEU405B, LEU425B, LEU798B, LYS375C, LYS430B, LYS806B, LYS898B, PHE384C, PHE418C, PRO314C, PRO382C, PRO416C, PRO436B, PRO897B, SER312C, SER319C, SER381C, SER427B, SER432B, SER441B, THR315C, THR383C, THR409B, THR409C, THR444B, THR589B, THR800B, THR801B, THR809B, TYR388C, TYR408B, VAL346C, VAL401B
• C-D: ARG782C, ASN962D, GLU677D, GLU680D, GLU774C, GLU778C, GLU939D, THR771C