2PD6

structure of human hydroxysteroid dehydrogenase type 8, hsd17b8

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 148
  • Norm. En. per Res.: -4.3184
• 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	-31.6112	2.5823	-356.568	-385.597	137	16	6	13795	4	24	37
A-C	0.0	0.0	-0.0895	-0.0895	10	0	0	49	0	4	3
A-D	-107.4446	-50.8682	-471.091	-629.4038	148	17	21	19101	6	25	30
B-C	-108.3026	-66.5381	-464.287	-639.1278	148	21	21	18890	6	26	30
B-D	0.0	0.0	-0.373	-0.373	12	0	0	100	0	4	3
C-D	-50.3644	-2.7217	-352.495	-405.5811	132	5	6	13223	4	23	37

Interface residues

• A-B: ALA183A, ALA183B, ALA184A, ALA184B, ALA203A, ALA203B, ALA234A, ALA234B, ALA238A, ALA238B, ARG148A, ARG185A, ARG185B, ARG189A, ARG189B, ARG193A, ARG193B, ARG30A, ARG30B, ARG8A, ASN195A, ASN195B, ASP229A, ASP229B, ASP232A, ASP232B, ASP235A, ASP235B, ASP244A, ASP244B, CYS194A, CYS194B, GLN181A, GLN181B, GLN6A, GLU186A, GLU186B, GLU220B, GLU231A, GLU231B, GLU243A, GLU243B, GLU254A, GLU254B, GLU34A, GLU34B, GLY149A, GLY149B, GLY188A, GLY188B, GLY191A, GLY191B, GLY200A, GLY200B, GLY225A, GLY225B, GLY228A, GLY228B, GLY246A, GLY246B, GLY250A, GLY250B, GLY257A, GLY257B, GLY258A, GLY258B, HIS190A, HIS190B, HIS226A, HIS226B, ILE157A, ILE157B, ILE192A, ILE192B, ILE202A, ILE202B, ILE222A, ILE222B, ILE248A, ILE248B, LEU187A, LEU187B, LEU198A, LEU198B, LEU227A, LEU227B, LEU240A, LEU240B, LEU259A, LEU259B, LYS160A, LYS160B, MET0A, MET221A, MET221B, MET224A, MET224B, PHE201A, PHE201B, PHE239A, PHE239B, PHE260B, PRO199A, PRO199B, PRO223A, PRO223B, SER242A, SER242B, SER245A, SER245B, SER252A, SER252B, THR182A, THR182B, THR219A, THR219B, THR249A, THR249B, THR251A, THR251B, THR256A, THR256B, TYR247A, TYR247B, VAL161B, VAL197A, VAL197B, VAL233A, VAL233B, VAL236A, VAL236B, VAL237A, VAL237B, VAL253A, VAL253B, VAL255A, VAL255B
• A-C: ASN163A, GLY162A, LYS160A, PHE260C, PRO223A, PRO223C, VAL161A, VAL161C, VAL164A, VAL164C
• A-D: ALA125A, ALA125D, ALA137A, ALA137D, ALA138A, ALA138D, ALA139A, ALA139D, ALA141A, ALA141D, ALA170A, ALA170D, ALA171A, ALA171D, ALA174A, ALA174D, ALA183A, ALA183D, ALA184A, ALA184D, ALA79A, ALA79D, ARG185A, ARG185D, ARG189A, ARG189D, ARG80A, ARG80D, ASN127A, ASN127D, ASN153D, ASN163A, ASN163D, ASN168A, ASN168D, ASP118A, ASP118D, ASP119A, ASP119D, ASP121A, ASP121D, CYS194A, CYS194D, GLN136A, GLN136D, GLN140A, GLN140D, GLN166A, GLN166D, GLN181A, GLN181D, GLU110A, GLU110D, GLU117A, GLU117D, GLU186A, GLU186D, GLU78A, GLU78D, GLY130A, GLY130D, GLY159A, GLY159D, GLY162A, GLY162D, GLY165A, GLY165D, GLY175A, GLY175D, GLY178A, GLY178D, GLY188A, GLY188D, GLY250A, HIS114A, HIS114D, HIS190A, HIS190D, ILE124A, ILE124D, ILE151A, ILE151D, ILE157A, ILE157D, ILE177A, ILE177D, ILE192A, ILE192D, LEU112A, LEU112D, LEU113A, LEU113D, LEU128A, LEU128D, LEU133A, LEU133D, LEU142A, LEU142D, LEU179A, LEU179D, LEU187A, LEU187D, LYS129A, LYS129D, LYS160A, LYS160D, LYS173A, LYS173D, MET115A, MET115D, PHE111A, PHE111D, PHE132A, PHE132D, SER116A, SER116D, SER144A, SER144D, SER172A, SER172D, SER77A, SER77D, THR131A, THR131D, THR135A, THR135D, THR167A, THR167D, THR180A, THR180D, THR182A, THR182D, TRP120A, TRP120D, TYR169A, TYR169D, VAL134A, VAL134D, VAL143A, VAL143D, VAL158A, VAL158D, VAL161A, VAL161D, VAL164A, VAL164D, VAL176A, VAL176D
• B-C: ALA125B, ALA125C, ALA137B, ALA137C, ALA138B, ALA138C, ALA139B, ALA139C, ALA141B, ALA141C, ALA170B, ALA170C, ALA171B, ALA171C, ALA174B, ALA174C, ALA183B, ALA183C, ALA184B, ALA184C, ALA79B, ALA79C, ARG185B, ARG185C, ARG189B, ARG189C, ARG80B, ARG80C, ASN127B, ASN127C, ASN153C, ASN163B, ASN163C, ASN168B, ASN168C, ASP118B, ASP118C, ASP119B, ASP119C, ASP121B, ASP121C, CYS194B, CYS194C, GLN136B, GLN136C, GLN140B, GLN140C, GLN166B, GLN166C, GLN181B, GLN181C, GLU110B, GLU110C, GLU117B, GLU117C, GLU186B, GLU186C, GLU78B, GLU78C, GLY130B, GLY130C, GLY159B, GLY159C, GLY162B, GLY162C, GLY165B, GLY165C, GLY175B, GLY175C, GLY178B, GLY178C, GLY188B, GLY188C, HIS114B, HIS114C, HIS190B, HIS190C, ILE124B, ILE124C, ILE151B, ILE151C, ILE177B, ILE177C, ILE192B, ILE192C, LEU112B, LEU112C, LEU113B, LEU113C, LEU128B, LEU128C, LEU133B, LEU133C, LEU142B, LEU142C, LEU179B, LEU179C, LEU187B, LEU187C, LYS122B, LYS122C, LYS129B, LYS129C, LYS160B, LYS160C, LYS173B, LYS173C, MET115B, MET115C, MET221C, PHE111B, PHE111C, PHE132B, PHE132C, SER116B, SER116C, SER144B, SER144C, SER172B, SER172C, SER77B, SER77C, THR131B, THR131C, THR135B, THR135C, THR167B, THR167C, THR180B, THR180C, THR182B, THR182C, TRP120B, TRP120C, TYR169B, TYR169C, VAL134B, VAL134C, VAL143B, VAL143C, VAL158B, VAL158C, VAL161B, VAL161C, VAL164B, VAL164C, VAL176B, VAL176C
• B-D: ASN163B, ASN163D, GLY162B, GLY162D, PHE260B, PHE260D, PRO223B, PRO223D, VAL161B, VAL161D, VAL164B, VAL164D
• C-D: ALA183C, ALA183D, ALA184C, ALA184D, ALA203C, ALA203D, ALA234C, ALA234D, ALA238C, ALA238D, ARG148C, ARG148D, ARG185C, ARG185D, ARG189C, ARG189D, ARG193C, ARG193D, ARG30C, ARG30D, ARG8D, ASN195C, ASN195D, ASP229C, ASP229D, ASP232C, ASP232D, ASP235C, ASP235D, ASP244C, ASP244D, CYS194C, CYS194D, GLN181C, GLN181D, GLU186C, GLU186D, GLU231C, GLU231D, GLU243C, GLU243D, GLU254C, GLU254D, GLU34C, GLU34D, GLY149C, GLY149D, GLY188C, GLY188D, GLY191C, GLY191D, GLY200C, GLY200D, GLY225C, GLY225D, GLY228C, GLY228D, GLY246C, GLY246D, GLY250C, GLY250D, GLY257C, GLY257D, GLY258C, GLY258D, HIS190C, HIS190D, HIS226C, HIS226D, ILE157C, ILE157D, ILE192C, ILE192D, ILE202C, ILE202D, ILE222C, ILE222D, ILE248C, ILE248D, LEU187C, LEU187D, LEU198C, LEU198D, LEU227C, LEU227D, LEU240C, LEU240D, LEU259C, LEU259D, MET221C, MET224C, MET224D, PHE201C, PHE201D, PHE239C, PHE239D, PHE260C, PHE260D, PRO199C, PRO199D, PRO223C, PRO223D, SER242C, SER242D, SER245C, SER245D, SER252C, SER252D, THR182C, THR182D, THR219C, THR219D, THR249C, THR249D, THR251C, THR251D, THR256C, THR256D, TYR247C, TYR247D, VAL197C, VAL197D, VAL233C, VAL233D, VAL236C, VAL236D, VAL237C, VAL237D, VAL253C, VAL253D, VAL255C, VAL255D