3AP1

crystal structure of human tyrosylprotein sulfotransferase-2 complexed with pap and c4 peptide

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-S
  • Int. Res.: 48
  • Norm. En. per Res.: -5.963
• 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	-33.6947	-36.0817	-426.633	-496.4094	136	8	17	17566	8	59	72
A-S	-51.9882	-56.9194	-177.316	-286.2236	48	5	6	5534	2	29	19
A-T	0.0	-37.0676	-51.6558	-88.7234	22	2	0	1791	2	15	6
B-S	0.0	-1.2274	-49.3202	-50.5476	19	1	0	1422	2	15	6
B-T	-71.1238	-70.2967	-185.708	-327.1285	58	11	4	6395	4	36	19

Interface residues

• A-B: ALA108B, ALA112A, ALA112B, ALA126A, ALA126B, ALA135A, ALA135B, ALA136A, ALA136B, ALA139A, ALA139B, ALA146A, ALA146B, ARG101A, ARG101B, ARG105A, ARG105B, ARG110A, ARG110B, ARG118A, ARG118B, ARG122A, ARG122B, ARG284A, ARG284B, ARG78A, ARG85A, ARG85B, ARG95A, ARG95B, ASN157A, ASN157B, ASP124A, ASP124B, ASP134A, ASP134B, ASP159A, ASP159B, GLN138A, GLN138B, GLU119A, GLU119B, GLU125A, GLU125B, GLU131A, GLU131B, GLU143A, GLU143B, GLU150A, GLU150B, GLU283A, GLU283B, GLU51B, GLU98A, GLU98B, GLU99A, GLU99B, GLY117A, GLY117B, GLY127A, GLY127B, GLY149A, GLY149B, GLY97A, GLY97B, HIS148A, HIS148B, ILE102A, ILE102B, ILE103A, ILE103B, ILE141A, ILE141B, ILE145A, ILE145B, ILE282A, ILE282B, LEU107B, LEU121A, LEU121B, LEU123A, LEU123B, LEU133A, LEU133B, LEU142A, LEU142B, LEU279A, LEU279B, LEU52A, LEU52B, LYS120A, LYS120B, LYS147A, LYS147B, LYS281A, LYS281B, LYS66A, LYS66B, MET109A, MET109B, MET137A, MET137B, PHE140A, PHE140B, PRO104A, PRO104B, SER114A, SER116A, SER278A, SER278B, SER280A, SER280B, SER285A, SER285B, THR100A, THR100B, THR129A, THR129B, THR198A, THR198B, THR286A, TRP113A, TRP113B, TYR168A, TYR64A, TYR64B, VAL106A, VAL106B, VAL128A, VAL128B, VAL132A, VAL132B, VAL144A, VAL144B, VAL197A, VAL197B
• A-S: ALA108A, ALA200A, ALA217A, ARG101A, ARG105A, ARG195A, ARG284A, ARG78A, ASP1002S, ASP1005S, ASP1009S, ASP159A, GLU1004S, GLU1007S, GLU283A, GLU99A, GLY201A, ILE102A, ILE103A, ILE199A, ILE282A, LEU107A, LEU204A, LYS158A, LYS164A, LYS196A, LYS213A, LYS216A, MET109A, MET192A, MET221A, PHE1003S, PHE1008S, PHE161A, PHE202A, PRO104A, PRO160A, PRO77A, SER285A, THR162A, THR198A, THR81A, THR82A, TYR1006S, VAL106A, VAL197A, VAL220A, VAL76A
• A-T: ALA108A, ALA112A, ARG110A, ARG118A, ARG122A, ASP1002T, ASP1005T, GLN111A, GLU1001T, GLU1004T, GLU1007T, GLU119A, GLY117A, LEU123A, LYS115A, LYS120A, MET109A, PHE1003T, SER114A, SER116A, TRP113A, TYR1006T
• B-S: ALA112B, ARG118B, ARG122B, ASP1002S, ASP1005S, GLU1001S, GLU1004S, GLU1007S, GLU119B, GLY117B, LEU121B, LEU123B, LYS120B, MET109B, PHE1003S, PHE1008S, SER116B, TRP113B, TYR1006S
• B-T: ALA108B, ALA112B, ALA200B, ALA217B, ARG101B, ARG105B, ARG110B, ARG195B, ARG284B, ARG78B, ASP1002T, ASP1005T, ASP1009T, ASP159B, GLN111B, GLU1001T, GLU1004T, GLU1007T, GLU283B, GLU99B, GLY201B, GLY75B, ILE102B, ILE103B, ILE199B, ILE282B, LEU107B, LEU163B, LEU169B, LEU204B, LYS115B, LYS158B, LYS164B, LYS196B, LYS216B, MET109B, MET192B, MET221B, PHE1003T, PHE1008T, PHE161B, PHE202B, PRO104B, PRO160B, PRO77B, SER165B, SER166B, SER285B, THR162B, THR198B, THR81B, THR82B, TYR1006T, TYR168B, VAL106B, VAL197B, VAL220B, VAL76B