3KDM

crystal structure of human anti-steroid fab 5f2 in complex with testosterone

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 195
  • Norm. En. per Res.: -3.1169
• Hub Node: H(2)

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
L-H	-18.5019	-54.9845	-508.356	-581.8424	199	22	15	19523	5	23	18
L-B	0.0	0.0	-2.2718	-2.2718	8	0	0	252	0	0	1
H-A	0.0	0.0	-2.0471	-2.0471	8	0	0	187	0	1	1
H-B	-44.0684	0.8295	-94.0339	-137.2728	58	9	0	4376	0	2	9
A-B	-40.9221	-53.5825	-513.296	-607.8006	195	21	15	19614	4	23	17

Interface residues

• L-H: ALA134H, ALA134L, ALA145H, ALA146H, ALA177H, ALA197L, ALA220H, ALA3L, ALA40H, ALA45L, ALA50H, ALA61H, ALA97H, ARG215L, ARG38H, ARG56L, ARG97L, ARG98H, ASN141L, ASN142L, ASN214L, ASN33L, ASN55L, ASP104H, ASP110H, ASP126L, ASP153H, ASP171L, ASP174L, ASP62H, ASP87L, ASP99H, CYS138L, CYS149H, CYS218L, CYS90L, CYS96H, GLN114H, GLN128L, GLN164L, GLN170L, GLN180H, GLN39H, GLN39L, GLN40L, GLU127L, GLU165L, GLU169L, GLU217L, GLU46H, GLU6H, GLY103L, GLY105L, GLY108H, GLY113H, GLY115H, GLY142H, GLY148H, GLY183H, GLY216L, GLY42H, GLY43L, GLY44H, GLY52L, HIS173H, HIS41L, ILE121L, ILE50L, LEU129L, LEU133H, LEU139L, LEU140L, LEU147H, LEU150H, LEU179H, LEU179L, LEU183L, LEU184H, LEU185L, LEU187H, LEU45H, LEU48L, LYS107L, LYS130L, LYS138H, LYS152H, LYS173L, LYS211L, LYS218H, LYS219H, LYS223H, LYS43H, LYS44L, LYS47L, LYS65H, MET109H, MET49L, PHE102L, PHE120L, PHE122L, PHE131H, PHE143L, PHE175H, PHE213L, PRO100H, PRO123L, PRO124L, PRO132H, PRO135H, PRO176H, PRO42L, PRO46L, PRO57L, PRO99L, SER118L, SER125L, SER129H, SER131L, SER135L, SER136H, SER137H, SER139H, SER141H, SER163L, SER166L, SER170H, SER171H, SER172L, SER178L, SER180L, SER181H, SER181L, SER182H, SER186H, SER188H, SER189H, SER195H, SER212L, SER35H, SER36L, SER49H, SER58L, SER91L, SER92L, SER95L, THR104L, THR133L, THR140H, THR144H, THR168L, THR174H, THR176L, THR182L, THR184L, THR192H, THR210L, THR94L, THR98L, TRP112H, TRP36H, TRP37L, TRP47H, TYR100L, TYR105H, TYR106H, TYR107H, TYR177L, TYR185H, TYR190L, TYR196L, TYR34L, TYR38L, TYR51L, TYR59H, TYR60H, TYR88L, TYR89L, TYR93L, TYR95H, VAL101L, VAL111H, VAL119L, VAL130H, VAL136L, VAL137L, VAL151H, VAL167L, VAL172H, VAL178H, VAL190H, VAL191H, VAL193H, VAL209L, VAL216H, VAL35L, VAL37H, VAL48H, VAL53L, VAL93H
• L-B: ALA123B, GLN128L, GLN13B, GLU127L, LYS130L, PRO14B, SER122B, SER131L
• H-A: ALA123H, GLN128A, GLN13H, GLU127A, LYS130A, PRO14H, SER122H, SER131A
• H-B: ALA123B, ALA123H, ASN213B, ASN213H, ASP153B, ASP153H, ASP217B, GLN13B, GLN13H, GLY127B, GLY127H, HIS209B, HIS209H, LEU11B, LEU11H, LEU184B, LEU184H, LYS126B, LYS126H, LYS152B, LYS152H, LYS210B, LYS210H, LYS215B, LYS215H, LYS218B, LYS218H, PHE131B, PHE131H, PHE155B, PHE155H, PRO128B, PRO128H, PRO14B, PRO156B, PRO156H, PRO211B, PRO211H, SER122B, SER122H, SER124B, SER124H, SER129B, SER129H, SER212B, SER212H, THR125B, THR125H, THR214B, THR214H, TYR154B, TYR154H, VAL12B, VAL12H, VAL130B, VAL130H, VAL216B, VAL216H
• A-B: ALA134A, ALA134B, ALA145B, ALA146B, ALA177B, ALA220B, ALA40B, ALA45A, ALA50B, ALA61B, ALA97B, ARG146A, ARG38B, ARG56A, ARG97A, ARG98B, ASN141A, ASN142A, ASN214A, ASN33A, ASN55A, ASP104B, ASP110B, ASP126A, ASP153B, ASP171A, ASP174A, ASP62B, ASP87A, ASP99B, CYS138A, CYS149B, CYS218A, CYS90A, CYS96B, GLN114B, GLN128A, GLN164A, GLN170A, GLN180B, GLN39A, GLN39B, GLN40A, GLU127A, GLU165A, GLU169A, GLU46B, GLU6B, GLY103A, GLY105A, GLY108B, GLY113B, GLY115B, GLY142B, GLY143B, GLY148B, GLY161A, GLY183B, GLY42B, GLY43A, GLY44B, GLY52A, HIS173B, HIS41A, ILE121A, ILE50A, LEU129A, LEU133B, LEU139A, LEU140A, LEU147B, LEU150B, LEU179A, LEU179B, LEU183A, LEU184B, LEU185A, LEU187B, LEU45B, LEU48A, LYS107A, LYS130A, LYS138B, LYS152B, LYS173A, LYS211A, LYS218B, LYS223B, LYS43B, LYS44A, LYS47A, LYS65B, MET109B, MET49A, PHE102A, PHE120A, PHE122A, PHE131B, PHE143A, PHE175B, PHE213A, PRO100B, PRO117A, PRO123A, PRO124A, PRO132B, PRO135B, PRO176B, PRO42A, PRO46A, PRO57A, PRO99A, SER118A, SER125A, SER129B, SER131A, SER135A, SER136B, SER137B, SER139B, SER141B, SER163A, SER166A, SER170B, SER171B, SER172A, SER178A, SER180A, SER181A, SER181B, SER182B, SER186B, SER188B, SER189B, SER195B, SER212A, SER35B, SER36A, SER49B, SER58A, SER91A, SER92A, THR104A, THR133A, THR140B, THR144B, THR168A, THR174B, THR176A, THR182A, THR184A, THR192B, THR58B, THR94A, THR98A, TRP112B, TRP36B, TRP37A, TRP47B, TYR100A, TYR105B, TYR106B, TYR107B, TYR177A, TYR185B, TYR34A, TYR38A, TYR51A, TYR59B, TYR60B, TYR88A, TYR89A, TYR93A, TYR95B, VAL101A, VAL111B, VAL119A, VAL130B, VAL136A, VAL137A, VAL151B, VAL167A, VAL172B, VAL178B, VAL190B, VAL191B, VAL193B, VAL209A, VAL216B, VAL35A, VAL37B, VAL48B, VAL53A, VAL60A, VAL93B