2PNR

crystal structure of the asymmetric pdk3-l2 complex

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 52
  • Norm. En. per Res.: -4.5457
• Hub Node: A(4)

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	-142.0369	-131.1329	-556.745	-829.9148	223	31	8	20801	10	85	57
A-C	-92.6104	-39.0886	-104.68	-236.379	52	8	1	4386	5	15	23
A-E	0.0	-5.5631	-3.1302	-8.6934	8	1	0	225	0	5	8
A-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	0
B-C	-23.23	-12.7916	-106.635	-142.6566	56	11	1	4695	0	20	9
C-E	0.0	16.5238	-6.9169	9.6069	15	0	0	650	0	11	14
E-F	-141.9654	-122.8615	-653.929	-918.7559	231	61	10	22938	10	87	59
E-G	-44.6337	5.0995	-119.338	-158.8721	55	9	1	4674	3	16	22
F-G	-17.6603	-11.2011	-74.5385	-103.3999	53	5	0	3894	0	18	9

Interface residues

• A-B: ALA225A, ALA225B, ALA354A, ALA360A, ALA360B, ALA376A, ALA376B, ALA386A, ALA386B, ALA399A, ALA40B, ARG153A, ARG153B, ARG263A, ARG295A, ARG295B, ARG299B, ARG336A, ARG336B, ARG368A, ARG368B, ARG378A, ARG378B, ARG37B, ARG397A, ARG56A, ARG56B, ASN157A, ASN157B, ASN224A, ASN224B, ASN373A, ASN373B, ASN391A, ASN39B, ASP152A, ASP152B, ASP280A, ASP280B, ASP298A, ASP298B, ASP341A, ASP341B, ASP34B, ASP353A, ASP353B, ASP387A, ASP387B, ASP388A, ASP388B, ASP38B, ASP398A, CYS41B, GLN148A, GLN148B, GLN31B, GLN339A, GLN339B, GLU221A, GLU221B, GLU222A, GLU222B, GLU279A, GLU279B, GLU348A, GLU348B, GLU364A, GLU364B, GLU367A, GLU367B, GLU385A, GLU395A, GLU63A, GLU63B, GLY277A, GLY277B, GLY290A, GLY290B, GLY340A, GLY340B, GLY349A, GLY349B, GLY351A, GLY351B, GLY36B, HIS379A, HIS379B, ILE283A, ILE283B, ILE285A, ILE285B, ILE297A, ILE297B, ILE356A, ILE356B, LEU151A, LEU151B, LEU259A, LEU259B, LEU273A, LEU273B, LEU276A, LEU276B, LEU27B, LEU281A, LEU281B, LEU288A, LEU288B, LEU294A, LEU294B, LEU333A, LEU333B, LEU33B, LEU342A, LEU342B, LEU344A, LEU344B, LEU358A, LEU358B, LEU369A, LEU369B, LYS226A, LYS226B, LYS278A, LYS278B, LYS284A, LYS284B, LYS296A, LYS296B, LYS30B, LYS343A, LYS343B, LYS359A, LYS359B, LYS374A, LYS374B, MET347A, MET347B, PHE150A, PHE150B, PHE154A, PHE154B, PHE223A, PHE223B, PHE301B, PHE32B, PHE35B, PHE366A, PHE366B, PHE372A, PHE372B, PHE48B, PRO228B, PRO24A, PRO24B, PRO26A, PRO26B, PRO293A, PRO293B, PRO370A, PRO370B, PRO384A, PRO392A, PRO396A, SER160A, SER23A, SER23B, SER25A, SER25B, SER282A, SER282B, SER286A, SER286B, SER28B, SER346A, SER346B, SER363B, SER365B, SER375A, SER375B, SER390A, SER390B, SER393A, SER394A, SER400A, THR156A, THR156B, THR272A, THR272B, THR275A, THR275B, THR352A, THR352B, THR382A, THR382B, THR383A, THR44B, TRP377A, TRP377B, TRP389A, TRP389B, TYR149A, TYR149B, TYR155A, TYR155B, TYR337A, TYR337B, TYR345A, TYR345B, TYR357A, TYR357B, TYR380A, TYR380B, VAL274A, VAL274B, VAL292A, VAL292B, VAL350A, VAL350B, VAL355A, VAL355B, VAL371A, VAL371B
• A-C: ALA167C, ALA174C, ALA386A, ALA399A, ARG151C, ARG196C, ARG397A, ASN391A, ASP140A, ASP164C, ASP172C, ASP387A, ASP398A, GLN150C, GLU153C, GLU158C, GLU168C, GLU170C, GLU179C, GLU385A, GLU395A, GLY163C, GLY177C, ILE169C, ILE176C, LEU165C, LEU166C, LYS154C, LYS155C, LYS173C, MET144C, MET146C, PHE139A, PHE142A, PHE178C, PRO141A, PRO384A, PRO392A, PRO396A, SER141C, SER390A, SER393A, SER394A, THR143C, THR145C, THR148C, THR171C, THR175C, THR383A, TRP152C, TRP389A, VAL180C
• A-E: ARG21A, ARG263E, ARG62A, GLU17A, GLU265E, LYS14A, LYS264E, PRO13A
• A-F: LYS14A, PRO228F
• B-C: ALA139C, ALA174C, ALA376B, ARG18B, ARG21B, ARG378B, ARG50B, ARG56B, ASN373B, ASN59B, ASP164C, ASP172C, GLN181C, GLN31B, GLU162C, GLU179C, GLU52B, GLU95B, GLY163C, GLY177C, ILE176C, LEU140C, LEU165C, LEU200C, LEU27B, LEU369B, LEU53B, LYS154C, LYS173C, LYS374B, LYS51B, MET144C, MET47B, PHE178C, PHE22B, PHE366B, PHE372B, PHE48B, PRO138C, PRO142C, PRO24B, PRO26B, PRO54B, SER141C, SER161C, SER23B, SER25B, SER375B, THR143C, THR171C, THR175C, TRP377B, TYR19B, VAL180C, VAL371B, VAL55B
• C-E: ALA194E, ALA212C, ASP195E, ASP199E, ASP213C, GLU202E, GLU211C, LYS159C, LYS198E, LYS205E, LYS210C, MET206E, THR203E, TYR185C, TYR201E
• E-F: ALA225E, ALA225F, ALA354E, ALA354F, ALA360E, ALA360F, ALA376E, ALA376F, ALA386E, ALA386F, ALA399E, ALA40F, ARG153E, ARG153F, ARG263E, ARG295E, ARG295F, ARG299E, ARG336E, ARG336F, ARG368E, ARG368F, ARG378E, ARG378F, ARG37F, ARG397E, ARG56E, ARG56F, ASN157E, ASN157F, ASN224E, ASN224F, ASN373E, ASN373F, ASN391E, ASN39F, ASP152E, ASP152F, ASP280E, ASP280F, ASP298E, ASP298F, ASP341E, ASP341F, ASP34F, ASP353E, ASP353F, ASP387E, ASP387F, ASP388E, ASP388F, ASP38F, ASP398E, CYS41F, GLN148E, GLN148F, GLN31F, GLN339E, GLN339F, GLU221E, GLU221F, GLU222E, GLU222F, GLU279E, GLU279F, GLU348E, GLU348F, GLU364E, GLU364F, GLU367E, GLU367F, GLU385E, GLU395E, GLU63E, GLU63F, GLY277E, GLY277F, GLY290E, GLY290F, GLY291E, GLY291F, GLY340E, GLY340F, GLY349E, GLY349F, GLY351E, GLY351F, GLY36F, HIS379E, HIS379F, ILE159F, ILE232E, ILE232F, ILE283E, ILE283F, ILE285E, ILE285F, ILE297E, ILE297F, ILE356E, ILE356F, LEU151E, LEU151F, LEU259E, LEU259F, LEU273E, LEU273F, LEU276E, LEU276F, LEU27F, LEU281E, LEU281F, LEU288E, LEU288F, LEU294E, LEU294F, LEU333E, LEU333F, LEU33F, LEU342E, LEU342F, LEU344E, LEU344F, LEU358E, LEU358F, LEU369E, LEU369F, LYS226E, LYS226F, LYS278E, LYS278F, LYS284E, LYS284F, LYS296E, LYS296F, LYS30F, LYS343E, LYS343F, LYS359E, LYS359F, LYS374E, LYS374F, MET347E, MET347F, PHE150E, PHE150F, PHE154E, PHE154F, PHE223E, PHE223F, PHE301F, PHE32F, PHE35F, PHE366E, PHE366F, PHE372E, PHE372F, PHE48F, PRO228F, PRO24E, PRO24F, PRO26E, PRO26F, PRO293E, PRO293F, PRO370E, PRO370F, PRO384E, PRO392E, PRO396E, SER160E, SER160F, SER23E, SER23F, SER25E, SER25F, SER282E, SER282F, SER286E, SER286F, SER28F, SER346E, SER346F, SER363F, SER365F, SER375E, SER375F, SER390E, SER390F, SER393E, SER394E, SER400E, THR156E, THR156F, THR272E, THR272F, THR275E, THR275F, THR352E, THR352F, THR382E, THR382F, THR383E, THR44F, TRP377E, TRP377F, TRP389E, TRP389F, TYR149E, TYR149F, TYR155E, TYR155F, TYR260F, TYR337E, TYR337F, TYR345E, TYR345F, TYR357E, TYR357F, TYR380E, TYR380F, VAL274E, VAL274F, VAL292E, VAL292F, VAL350E, VAL350F, VAL355E, VAL355F, VAL371E, VAL371F
• E-G: ALA167G, ALA174G, ALA386E, ARG151G, ARG196G, ARG397E, ASN391E, ASN70E, ASP140E, ASP164G, ASP172G, ASP387E, ASP398E, GLN150G, GLU153G, GLU158G, GLU168G, GLU170G, GLU179G, GLU385E, GLU395E, GLY163G, GLY177G, ILE143E, ILE169G, ILE176G, LEU165G, LEU166G, LYS154G, LYS155G, LYS159G, LYS173G, MET144G, MET146G, PHE139E, PHE142E, PHE178G, PRO141E, PRO142G, PRO384E, PRO392E, PRO396E, SER141G, SER161G, SER390E, SER393E, SER394E, THR143G, THR145G, THR148G, THR171G, THR175G, THR383E, TRP389E, VAL180G
• F-G: ALA139G, ALA174G, ALA376F, ARG18F, ARG21F, ARG378F, ARG50F, ARG56F, ASN373F, ASP164G, ASP172G, GLN181G, GLN31F, GLU162G, GLU179G, GLU52F, GLY163G, GLY177G, ILE176G, LEU140G, LEU165G, LEU27F, LEU369F, LEU53F, LYS173G, LYS374F, LYS51F, MET144G, MET47F, PHE178G, PHE22F, PHE366F, PHE372F, PHE48F, PRO138G, PRO142G, PRO24F, PRO26F, PRO54F, SER141G, SER161G, SER23F, SER25F, SER28F, SER375F, THR143G, THR171G, THR175G, TRP377F, TYR19F, VAL180G, VAL371F, VAL55F