3N96

crystal structure of human crfr2 alpha extracellular domain in complex with urocortin 1

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-H
  • Int. Res.: 54
  • Norm. En. per Res.: -3.0496
• 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	-13.4116	3.5575	-32.4451	-42.2993	21	3	0	1280	0	14	14
A-D	-11.5995	75.0499	-244.653	-181.2025	183	24	18	14645	2	28	38
A-G	-23.0923	9.5298	-158.03	-171.5925	69	11	6	7232	1	22	23
B-C	-49.7131	70.3017	-213.899	-193.3104	183	21	17	14561	2	29	37
B-D	0.0	30.3289	-39.8035	-9.4746	45	2	0	1958	0	35	46
B-H	-30.3562	-16.9974	-117.323	-164.6766	54	20	4	5579	1	10	12
C-E	-7.3318	-3.1162	-169.098	-179.546	71	3	6	7346	0	15	15
D-F	-12.5865	-21.8322	-160.704	-195.1227	67	12	7	7276	0	17	18

Interface residues

• A-B: ALA-286A, ASP-283A, ASP-288A, ASP-340B, GLN-284A, GLU-342B, GLU-89A, GLU-96A, GLY-338B, ILE-337B, LYS-287A, LYS-336B, LYS-341B, LYS-344B, LYS-345B, LYS-93A, PHE-285A, PHE-343B, PRO-289A, THR-290A, THR-339B
• A-D: 5LYSCBLYS-195D, ALA-101A, ALA-182D, ALA-184D, ALA-1A, ALA-1D, ALA-202D, ALA-28A, ALA-2A, ALA-2D, ALA-32A, ALA-6A, ALA-6D, ALA0A, ALA0D, ALA12A, ALA12D, ALA17A, ALA17D, ALA19A, ALA19D, ALA3A, ALA3D, ALA4A, ALA4D, ALA55D, ALA56A, ALA56D, ALA90D, ARG53A, ARG53D, ARG81D, ASN-185D, ASN-197D, ASN-270A, ASN-3A, ASN-3D, ASN13A, ASN13D, ASN41A, ASN41D, ASN86A, ASN86D, ASP-12D, ASP-186D, ASP-190A, ASP-190D, ASP-193A, ASP-193D, ASP-7A, ASP-7D, ASP25A, ASP25D, ASP32A, CB6.740712.01248, CYS14A, CYS14D, CYS40A, CYS40D, CYS83D, GLN-298A, GLN-35A, GLN-5A, GLN-5D, GLU-11D, GLU-198D, GLU-367A, GLU11A, GLU11D, GLU1A, GLU1D, GLU20A, GLU20D, GLU21A, GLU21D, GLU34A, GLU85A, GLU85D, GLY-183D, GLY-188D, GLY-196D, GLY-204D, GLY-269D, GLY-301A, GLY-302A, GLY-316A, GLY26A, GLY26D, GLY28A, GLY35A, GLY57D, GLY87A, GLY87D, HIS7A, HIS7D, ILE-192A, ILE-368A, ILE-37A, LEU-9A, LEU-9D, LEU10A, LEU10D, LEU16A, LEU16D, LEU18A, LEU18D, LEU22A, LEU22D, LEU23A, LEU23D, LEU24A, LEU24D, LEU31A, LEU44A, LEU5A, LEU5D, LEU6A, LEU6D, LEU84A, LEU84D, LEU9A, LEU9D, LYS-181D, LYS-191A, LYS-191D, LYS-195A, LYS-195D, LYS-200D, LYS-369A, LYS-8A, LYS-8D, MET-34A, PHE-201A, PHE-201D, PHE-31A, PHE-31D, PHE2A, PHE2D, PRO-36A, PRO-99A, PRO29A, PRO30A, PRO30D, PRO33A, PRO36A, PRO36D, SER-297A, SER-33A, SER15A, SER15D, SER38A, SER38D, SER8A, SER8D, SER91D, THR-317A, THR-4A, THR-4D, THR42A, THR42D, THR43A, THR88A, THR88D, TRP-30A, TRP27A, TRP27D, TRP89A, TRP89D, TYR-194A, TYR-194D, TYR-199D, TYR-203D, TYR-271A, TYR-29A, TYR37A, TYR37D, TYR39A, TYR39D, VAL-187A, VAL-187D, VAL-189A, VAL-189D, VAL-27A
• A-G: ALA-164A, ALA31G, ALA79A, ARG-16A, ARG-26A, ARG28G, ARG30G, ARG35G, ARG77A, ARG81A, ASN-165A, ASN-21A, ASN-220A, ASN34G, ASN69A, ASN94A, ASP-161A, ASP-163A, ASP-329A, ASP103A, ASP39G, ASP45A, CYS64A, CYS98A, GLN-218A, GLN-321A, GLN33G, GLN46A, GLN97A, GLU-217A, GLU-325A, GLU29G, GLU32G, GLU99A, GLY48A, GLY70A, HIS-331A, ILE-158A, ILE-22A, ILE101A, ILE36G, ILE37G, ILE47A, ILE93A, LEU102A, LYS-324A, LYS-328A, LYS72A, LYS92A, PHE38G, PHE68A, PRO-330A, PRO100A, PRO65A, SER-18A, SER40G, SER91A, SER96A, THR-162A, THR-25A, THR49A, TRP51A, TYR-160A, TYR-29A, TYR67A, TYR73A, TYR95A, VAL41G, VAL71A
• B-C: ALA-101B, ALA-182C, ALA-184C, ALA-1B, ALA-1C, ALA-202B, ALA-202C, ALA-28B, ALA-2B, ALA-2C, ALA-32B, ALA-6B, ALA-6C, ALA0B, ALA0C, ALA12B, ALA12C, ALA17B, ALA17C, ALA19B, ALA19C, ALA3B, ALA3C, ALA4B, ALA4C, ALA55C, ALA56B, ALA56C, ALA90C, ARG53B, ARG53C, ARG81C, ASN-185C, ASN-197C, ASN-270B, ASN-3B, ASN-3C, ASN13B, ASN13C, ASN41B, ASN41C, ASN86B, ASN86C, ASP-12C, ASP-186B, ASP-186C, ASP-190B, ASP-190C, ASP-193B, ASP-193C, ASP-7B, ASP-7C, ASP25B, ASP25C, ASP32B, CYS14B, CYS14C, CYS40B, CYS40C, CYS83C, GLN-298B, GLN-35B, GLN-5B, GLN-5C, GLU-11C, GLU-198C, GLU-367B, GLU11B, GLU11C, GLU1B, GLU1C, GLU20B, GLU20C, GLU21B, GLU21C, GLU34B, GLU85B, GLU85C, GLY-183C, GLY-188C, GLY-196C, GLY-204C, GLY-269C, GLY-301B, GLY-302B, GLY-316B, GLY26B, GLY26C, GLY28B, GLY35B, GLY57C, GLY87B, GLY87C, HIS7B, HIS7C, ILE-192B, ILE-192C, ILE-368B, ILE-37B, LEU-9B, LEU-9C, LEU10B, LEU10C, LEU16B, LEU16C, LEU18B, LEU18C, LEU22B, LEU22C, LEU23B, LEU23C, LEU24B, LEU24C, LEU31B, LEU44C, LEU5B, LEU5C, LEU6B, LEU6C, LEU84B, LEU84C, LEU9B, LEU9C, LYS-181C, LYS-191B, LYS-191C, LYS-195B, LYS-195C, LYS-200C, LYS-369B, LYS-8B, LYS-8C, MET-34B, PHE-201B, PHE-201C, PHE-31B, PHE2B, PHE2C, PRO-36B, PRO-99B, PRO29B, PRO30B, PRO30C, PRO33B, PRO36B, PRO36C, SER-297B, SER-33B, SER15B, SER15C, SER38B, SER38C, SER8B, SER8C, SER91C, THR-317B, THR-4B, THR-4C, THR42B, THR42C, THR43B, THR88B, THR88C, TRP-30B, TRP27B, TRP27C, TRP89B, TRP89C, TYR-194B, TYR-194C, TYR-199C, TYR-203C, TYR-271B, TYR-29B, TYR37B, TYR37C, TYR39B, TYR39C, VAL-187B, VAL-187C, VAL-189B, VAL-189C, VAL-27B
• B-D: ALA-286D, ALA-52B, ALA-58B, ARG-54B, ASN-129B, ASN-88D, ASN-98D, ASP-134B, ASP-288D, ASP-340D, ASP-56B, ASP-83B, GLU-342D, GLU-366D, GLU-60B, GLU-61B, GLU-79B, GLU-82D, GLU-89D, GLU-92D, GLU-96D, GLY-338D, GLY-365D, ILE-337D, LEU-59B, LEU-95D, LYS-131B, LYS-251B, LYS-282D, LYS-341D, LYS-344D, LYS-57B, LYS-75B, LYS-93D, LYS-97D, PHE-343D, PRO-289D, PRO-55B, PRO-99D, SER-64D, THR-133B, THR-290D, THR-339D, TYR-63B, TYR-87D
• B-H: ALA79B, ALA90B, ARG-26B, ARG35H, ARG77B, ARG81B, ASN-220B, ASN34H, ASN69B, ASN94B, ASP-161B, ASP-163B, ASP-329B, ASP39H, ASP45B, CYS64B, CYS98B, GLN-218B, GLN-321B, GLN33H, GLN46B, GLN97B, GLU-217B, GLU-325B, GLU32H, GLU99B, GLY48B, GLY70B, ILE-158B, ILE-22B, ILE36H, ILE37H, ILE47B, ILE93B, LEU-327B, LYS-324B, LYS-328B, LYS72B, LYS92B, PHE38H, PHE68B, PRO-330B, PRO100B, PRO65B, SER40H, SER91B, SER96B, THR49B, TRP51B, TYR67B, TYR73B, TYR95B, VAL41H, VAL71B
• C-E: ALA-28C, ALA-2C, ALA-318C, ALA-319C, ALA-32C, ALA0C, ALA31E, ALA3C, ALA79C, ALA90C, ARG28E, ARG30E, ARG35E, ARG81C, ASN-3C, ASN34E, ASN69C, ASN94C, ASP39E, ASP45C, CYS64C, CYS98C, GLN-298C, GLN-321C, GLN-35C, GLN27E, GLN33E, GLN46C, GLN97C, GLU-325C, GLU29E, GLU32E, GLU99C, GLY-296C, GLY-301C, GLY48C, GLY70C, ILE101C, ILE36E, ILE37E, ILE47C, ILE93C, LEU-295C, LEU102C, LYS-324C, LYS-328C, LYS72C, LYS92C, PHE38E, PHE68C, PRO-322C, PRO-36C, PRO100C, PRO65C, SER-297C, SER-33C, SER26E, SER40E, SER91C, SER96C, THR-317C, THR49C, TRP51C, TYR-29C, TYR-300C, TYR67C, TYR73C, TYR95C, VAL-320C, VAL41E, VAL71C
• D-F: ALA-318D, ALA-319D, ALA-32D, ALA31F, ALA90D, ARG28F, ARG30F, ARG35F, ARG81D, ASN-3D, ASN34F, ASN69D, ASN94D, ASP103D, ASP39F, ASP45D, CYS64D, CYS98D, GLN-298D, GLN-321D, GLN27F, GLN33F, GLN46D, GLN97D, GLU-325D, GLU29F, GLU32F, GLU99D, GLY-296D, GLY-301D, GLY-316D, GLY48D, GLY70D, ILE101D, ILE36F, ILE37F, ILE47D, ILE93D, LEU-295D, LEU102D, LYS-324D, LYS-328D, LYS72D, LYS92D, PHE38F, PHE68D, PRO-322D, PRO-36D, PRO100D, PRO65D, SER-297D, SER-33D, SER26F, SER40F, SER91D, SER96D, THR-317D, THR49D, TRP51D, TYR-29D, TYR-300D, TYR67D, TYR73D, TYR95D, VAL-320D, VAL41F, VAL71D