4A69

structure of hdac3 bound to corepressor and inositol tetraphosphate

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 110
  • Norm. En. per Res.: -3.5005
• 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	0.0	43.5151	-89.1531	-45.638	86	6	1	4217	0	27	29
A-C	-33.1094	-41.3328	-308.957	-383.3992	111	8	5	12161	3	18	34
A-D	-17.9094	-4.3372	-168.134	-190.3807	81	13	5	6501	0	17	17
B-C	0.0	3.5434	-29.4582	-25.9148	23	0	0	1385	0	2	9
B-D	-36.7738	-41.0076	-307.274	-385.0553	110	9	5	12065	3	18	34

Interface residues

• A-B: ALA20A, ALA333A, ALA53B, ARG106B, ARG265A, ARG301A, ARG305A, ARG345A, ARG60B, ARG72B, ASN119B, ASN120B, ASN197A, ASN302A, ASN77B, ASP12B, ASP225A, ASP264A, ASP335A, ASP341A, ASP57B, ASP68B, ASP92A, CYS104B, CYS263A, CYS268A, CYS59B, GLN113B, GLN117B, GLN349A, GLN52B, GLN55B, GLN71B, GLU102B, GLU330A, GLU347A, GLU64B, GLY196A, GLY19A, GLY21A, GLY262A, GLY267A, GLY99B, HIS17A, HIS22A, HIS56B, ILE122B, ILE346A, ILE46B, ILE67B, LEU100B, LEU266A, LEU70B, LYS121B, LYS194A, LYS25A, LYS49B, MET58B, PHE101B, PHE103B, PHE16B, PHE199A, PHE200A, PHE332A, PHE336A, PHE48B, PHE69B, PRO11B, PRO23A, PRO334A, PRO340A, PRO50B, PRO98B, SER105B, SER343A, SER54B, THR116B, THR299A, THR344A, TYR160B, TYR198A, TYR298A, TYR331A, TYR51B, VAL342A, VAL73B
• A-C: ALA20A, ALA30A, ALA333A, ALA417C, ALA455C, ALA464C, ALA6A, ARG106A, ARG265A, ARG28A, ARG301A, ARG426C, ASN15A, ASN411C, ASN413C, ASN430C, ASN450C, ASN476C, ASP10A, ASP12A, ASP418C, ASP425C, CYS466C, GLN113A, GLN117A, GLN427C, GLU102A, GLU327A, GLU330A, GLU465C, GLY14A, GLY19A, GLY21A, GLY40A, GLY414C, GLY452C, GLY99A, HIS17A, HIS22A, HIS27A, HIS33A, HIS38A, HIS447C, ILE122A, ILE410C, ILE454C, ILE46A, LEU29A, LEU31A, LEU35A, LEU37A, LEU415C, LEU41A, LEU453C, LEU468C, LEU472C, LYS25A, LYS421C, LYS424C, LYS43A, LYS449C, LYS474C, LYS475C, LYS49A, MET24A, MET416C, MET420C, MET45A, PHE16A, PHE329A, PHE332A, PHE444C, PHE451C, PHE48A, PHE8A, PHE97A, PRO11A, PRO26A, PRO324A, PRO419C, PRO448C, PRO50A, PRO75A, PRO98A, SER326A, SER34A, SER456C, THR32A, THR473C, THR76A, TYR18A, TYR325A, TYR328A, TYR331A, TYR39A, TYR423C, TYR42A, TYR469C, TYR470C, TYR471C, TYR51A, TYR7A, TYR9A, VAL13A, VAL300A, VAL36A, VAL422C, VAL428C, VAL463C, VAL467C, VAL47A
• A-D: ALA417D, ALA455D, ALA464D, ARG224A, ARG265A, ARG352A, ARG426D, ARG460D, ASN197A, ASN348A, ASN350A, ASN411D, ASN413D, ASN89A, ASP170A, ASP225A, ASP259A, ASP264A, ASP356A, ASP418D, ASP425D, ASP92A, ASP93A, CYS145A, CYS94A, GLN349A, GLN353A, GLN357A, GLU347A, GLU459D, GLU465D, GLY143A, GLY196A, GLY202A, GLY21A, GLY267A, GLY296A, GLY297A, GLY414D, HIS134A, HIS135A, HIS172A, HIS22A, ILE171A, ILE358A, ILE410D, LEU266A, LEU355A, LEU415D, LEU458D, LYS137A, LYS194A, LYS408D, LYS421D, LYS424D, LYS461D, MET24A, MET412D, MET416D, MET420D, MET429D, PHE144A, PHE199A, PHE200A, PHE409D, PRO201A, PRO23A, PRO419D, PRO95A, SER142A, SER351A, THR203A, THR462D, TYR195A, TYR198A, TYR298A, TYR354A, TYR423D, VAL422D, VAL428D, VAL463D
• B-C: ASN119B, ASN120B, GLN446C, GLU156B, HIS161B, HIS447C, HIS56B, ILE122B, LEU118B, LEU158B, LYS121B, LYS159B, LYS449C, LYS474C, LYS475C, MET445C, PHE444C, PHE451C, PRO162B, PRO448C, THR116B, TYR160B, TYR470C
• B-D: ALA20B, ALA30B, ALA333B, ALA417D, ALA455D, ALA464D, ALA6B, ARG106B, ARG265B, ARG28B, ARG301B, ARG426D, ASN15B, ASN411D, ASN413D, ASN430D, ASN450D, ASP10B, ASP12B, ASP418D, ASP425D, CYS466D, GLN113B, GLN117B, GLN427D, GLU102B, GLU327B, GLU330B, GLU465D, GLY14B, GLY19B, GLY21B, GLY40B, GLY414D, GLY452D, GLY99B, HIS17B, HIS22B, HIS27B, HIS33B, HIS38B, HIS447D, ILE122B, ILE410D, ILE46B, LEU100B, LEU29B, LEU31B, LEU35B, LEU37B, LEU415D, LEU41B, LEU453D, LEU468D, LEU472D, LYS25B, LYS421D, LYS424D, LYS43B, LYS449D, LYS474D, LYS475D, LYS49B, MET24B, MET416D, MET420D, MET45B, PHE16B, PHE329B, PHE332B, PHE336B, PHE444D, PHE451D, PHE48B, PHE8B, PHE97B, PRO11B, PRO26B, PRO324B, PRO419D, PRO448D, PRO50B, PRO75B, PRO98B, SER326B, SER34B, THR32B, THR462D, THR473D, TYR18B, TYR325B, TYR328B, TYR331B, TYR39B, TYR423D, TYR42B, TYR469D, TYR470D, TYR471D, TYR51B, TYR7B, TYR9B, VAL13B, VAL300B, VAL36B, VAL422D, VAL428D, VAL463D, VAL467D, VAL47B